| General Information of DIG (ID: E0C6LP) |
| DIG Name |
D&C red no. 6 barium lake
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| Synonyms |
Click to Show/Hide the Synonyms of This DIG
D&C Red No. 6 barium lake; UNII-K4XZD9W99K; 17852-98-1; K4XZD9W99K; 2-Naphthalenecarboxylic acid, 3-hydroxy-4-(2-(4-methyl-2-sulfophenyl)diazenyl)-, barium salt (1:1); 2-Naphthalenecarboxylic acid, 3-hydroxy-4-[2-(4-methyl-2-sulfophenyl)diazenyl]-, barium salt (1:1); D And C Red No. 6, barium lake; C.I. Pigment Red 57, barium salt (1:1); EINECS 241-806-4; SCHEMBL9107772; DTXSID30884991; 2-Naphthalenecarboxylic acid, 3-hydroxy-4-((4-methyl-2-sulfophenyl)azo)-, barium salt (1:1); Q27281965; Barium 3-hydroxy-4-((4-methyl-2-sulphonatophenyl)azo)-2-naphthoate; Barium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)azo]-2-naphthoate
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| DIG Function |
Colorant
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| PubChem CID |
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| Formula |
C18H12BaN2O6S
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| Canonical SMILES |
CC1=CC(=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)[O-])S(=O)(=O)[O-].[Ba+2]
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| InChI |
1S/C18H14N2O6S.Ba/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);/q;+2/p-2
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| InChIKey |
GSEGKBMSKPDICA-UHFFFAOYSA-L
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Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
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| Structure |
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=135462879"></iframe>
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3D MOL is not available
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2D MOL
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| Physicochemical Properties |
Molecular Weight |
521.7 |
Topological Polar Surface Area |
151 |
| XlogP |
N.A. |
Complexity |
663 |
| Heavy Atom Count |
28 |
Rotatable Bond Count |
3 |
| Hydrogen Bond Donor Count |
1 |
Hydrogen Bond Acceptor Count |
8 |
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