4-[(2E)-2-(5-azanyl-4-oxidanylidene-8-sulfo-naphthalen-1-ylidene)hydrazinyl]benzoic acid

Systemtic Name: 4-[(2E)-2-(5-azanyl-4-oxidanylidene-8-sulfo-naphthalen-1-ylidene)hydrazinyl]benzoic acid Openeye Name: 4-[(2E)-2-(5-amino-4-oxo-8-sulfo-1-naphthylidene)hydrazino]benzoic acid CAS Name: 4-[(2E)-2-(5-amino-4-oxo-8-sulfo-1-naphthalenylidene)hydrazinyl]benzoic acid IUPAC Name: 4-[(2E)-2-(5-amino-4-oxo-8-sulfonaphthalen-1-ylidene)hydrazinyl]benzoic acid Traditional Name: 4-[(N'E)-N'-(5-amino-4-keto-8-sulfo-1-naphthylidene)hydrazino]benzoic acid Formula: C17H13N3O6S MolecularWeight: 387.36662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NN=C2C=CC(=O)C3=C(C=CC(=C23)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N/N=C/2\C=CC(=O)C3=C(C=CC(=C23)S(=O)(=O)O)N

InChI

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