5-[(4-azanyl-6-sulfo-naphthalen-1-yl)diazenyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(4-azanyl-6-sulfo-naphthalen-1-yl)diazenyl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(4-amino-6-sulfo-1-naphthyl)azo]benzene-1,3-dicarboxylic acid CAS Name: 5-[(4-amino-6-sulfo-1-naphthalenyl)azo]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(4-amino-6-sulfonaphthalen-1-yl)diazenyl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(4-amino-6-sulfo-1-naphthyl)azo]isophthalic acid Formula: C18H13N3O7S MolecularWeight: 415.37672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2C=C1S(=O)(=O)O)N)N=NC3=CC(=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2C=C1S(=O)(=O)O)N)N=NC3=CC(=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H13N3O7S/c19-15-3-4-16(13-2-1-12(8-14(13)15)29(26,27)28)21-20-11-6-9(17(22)23)5-10(7-11)18(24)25/h1-8H,19H2,(H,22,23)(H,24,25)(H,26,27,28)