Molecule ID: 92136122

IUPAC Name: 5-(6-amino-1,3-dioxo-5-sulfobenzo[de]isoquinolin-2-yl)-2-hydroxybenzoic acid

Description: The molecule is a member of the class of benzoisoquinolines that is 6-amino-1,3-dioxo-5-sulfobenzo[de]isoquinoline substituted at position 2 by a 3-carboxy-4-hydroxyphenyl group. The disodium salt is the histological dye 'Chrome fast yellow 8GL'. It has a role as a fluorochrome and a histological dye. It is an arenesulfonic acid, a primary arylamine, a benzoisoquinoline, a monohydroxybenzoic acid and a dicarboximide. It is a conjugate acid of a Chrome fast yellow 8GL(2-).

SMILES: Nc1c(S(=O)(=O)O)cc2c3c(cccc13)C(=O)N(c1ccc(O)c(C(=O)O)c1)C2=O

SELFIES: [N][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][C][Ring2][Ring1][Branch1][=O]

InChI: InChI=1S/C19H12N2O8S/c20-16-9-2-1-3-10-15(9)12(7-14(16)30(27,28)29)18(24)21(17(10)23)8-4-5-13(22)11(6-8)19(25)26/h1-7,22H,20H2,(H,25,26)(H,27,28,29)

Molecular Properties:
- Polar Surface Area: 184.0 Ų
- LogP: 2.0