4-azanyl-2-[2-(2-azanylidene-8-oxidanylidene-6-sulfo-naphthalen-1-yl)hydrazinyl]benzoic acid

Systemtic Name: 4-azanyl-2-[2-(2-azanylidene-8-oxidanylidene-6-sulfo-naphthalen-1-yl)hydrazinyl]benzoic acid Openeye Name: 4-amino-2-[2-(2-imino-8-oxo-6-sulfo-1-naphthyl)hydrazino]benzoic acid CAS Name: 4-amino-2-[(2-imino-8-oxo-6-sulfo-1-naphthalenyl)hydrazo]benzoic acid IUPAC Name: 4-amino-2-[2-(2-imino-8-oxo-6-sulfonaphthalen-1-yl)hydrazinyl]benzoic acid Traditional Name: 4-amino-2-[N'-(2-imino-8-keto-6-sulfo-1-naphthyl)hydrazino]benzoic acid Formula: C17H14N4O6S MolecularWeight: 402.38126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=N)C(=C2C1=CC(=CC2=O)S(=O)(=O)O)NNC3=C(C=CC(=C3)N)C(=O)O

Isomeric SMILES

C1=CC(=N)C(=C2C1=CC(=CC2=O)S(=O)(=O)O)NNC3=C(C=CC(=C3)N)C(=O)O

InChI

InChI=1S/C17H14N4O6S/c18-9-2-3-11(17(23)24)13(6-9)20-21-16-12(19)4-1-8-5-10(28(25,26)27)7-14(22)15(8)16/h1-7,19-21H,18H2,(H,23,24)(H,25,26,27)