11302540
  -OEChem-10191521332D

 44 47  0     0  0  0  0  0  0999 V2000
    5.5301   -1.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3424   -4.5374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -4.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    1.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.7568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -4.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -4.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -4.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3424   -2.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -2.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9260   -3.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -3.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -4.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    4.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    4.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    4.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1841    0.3499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7856   -0.3403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4742   -0.3153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8728    0.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6082   -1.8153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0067   -1.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0501    1.8499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6516    1.1597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -5.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5350   -2.3386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -2.0780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5460   -3.7327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -2.8998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    2.9573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7252    2.9573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    4.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7252    4.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    5.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2 12  1  0  0  0  0
  2 18  1  0  0  0  0
  3 13  1  0  0  0  0
  3 20  1  0  0  0  0
  4 14  1  0  0  0  0
  4 21  1  0  0  0  0
  5 20  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 14  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 18  2  0  0  0  0
 16 36  1  0  0  0  0
 17 19  2  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 40  1  0  0  0  0
 23 25  2  0  0  0  0
 23 41  1  0  0  0  0
 24 26  2  0  0  0  0
 24 42  1  0  0  0  0
 25 26  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11302540

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
499

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAASAAAAAwYIAAAAAAAEiB9AAAGgAAAAAADASgmAIwDsAABECIAqjSiAACCAAkIAAIiAEGCMgMJzaENRqCO2Cl4BUIqYfK7PzOIAACCAAIAABAAAQQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one

> <PUBCHEM_IUPAC_CAS_NAME>
4-(4-phenoxybutoxy)-7-furo[3,2-g][1]benzopyranone

> <PUBCHEM_IUPAC_NAME>
4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H18O5/c22-20-9-8-16-19(26-20)14-18-17(10-13-24-18)21(16)25-12-5-4-11-23-15-6-2-1-3-7-15/h1-3,6-10,13-14H,4-5,11-12H2

> <PUBCHEM_IUPAC_INCHIKEY>
KINMYBBFQRSVLL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.7

> <PUBCHEM_EXACT_MASS>
350.115424

> <PUBCHEM_MOLECULAR_FORMULA>
C21H18O5

> <PUBCHEM_MOLECULAR_WEIGHT>
350.36462

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)OCCCCOC2=C3C=CC(=O)OC3=CC4=C2C=CO4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)OCCCCOC2=C3C=CC(=O)OC3=CC4=C2C=CO4

> <PUBCHEM_CACTVS_TPSA>
57.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
350.115424

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
10  16  8
11  13  8
11  17  8
12  15  8
13  15  8
16  18  8
17  19  8
19  20  8
2  12  8
2  18  8
21  22  8
21  23  8
22  24  8
23  25  8
24  26  8
25  26  8
3  13  8
3  20  8
7  10  8
7  11  8

$$$$