4-[(2Z)-2-(1-azanyl-8-oxidanylidene-4-sulfo-naphthalen-2-ylidene)hydrazinyl]benzoic acid

Systemtic Name: 4-[(2Z)-2-(1-azanyl-8-oxidanylidene-4-sulfo-naphthalen-2-ylidene)hydrazinyl]benzoic acid Openeye Name: 4-[(2Z)-2-(1-amino-8-oxo-4-sulfo-2-naphthylidene)hydrazino]benzoic acid CAS Name: 4-[(2Z)-2-(1-amino-8-oxo-4-sulfo-2-naphthalenylidene)hydrazinyl]benzoic acid IUPAC Name: 4-[(2Z)-2-(1-amino-8-oxo-4-sulfonaphthalen-2-ylidene)hydrazinyl]benzoic acid Traditional Name: 4-[(N'Z)-N'-(1-amino-8-keto-4-sulfo-2-naphthylidene)hydrazino]benzoic acid Formula: C17H13N3O6S MolecularWeight: 387.36662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C2=C(C(=NNC3=CC=C(C=C3)C(=O)O)C=C(C2=C1)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=O)C2=C(/C(=N\NC3=CC=C(C=C3)C(=O)O)/C=C(C2=C1)S(=O)(=O)O)N

InChI

InChI=1S/C17H13N3O6S/c18-16-12(20-19-10-6-4-9(5-7-10)17(22)23)8-14(27(24,25)26)11-2-1-3-13(21)15(11)16/h1-8,19H,18H2,(H,22,23)(H,24,25,26)/b20-12-