5-acetamido-2-[2-(2-azanylidene-8-oxidanylidene-6-sulfo-naphthalen-1-yl)hydrazinyl]benzenesulfonate

Systemtic Name: 5-acetamido-2-[2-(2-azanylidene-8-oxidanylidene-6-sulfo-naphthalen-1-yl)hydrazinyl]benzenesulfonate Openeye Name: 5-acetamido-2-[2-(2-imino-8-oxo-6-sulfo-1-naphthyl)hydrazino]benzenesulfonate CAS Name: 5-acetamido-2-[(2-imino-8-oxo-6-sulfo-1-naphthalenyl)hydrazo]benzenesulfonate IUPAC Name: 5-acetamido-2-[2-(2-imino-8-oxo-6-sulfonaphthalen-1-yl)hydrazinyl]benzenesulfonate Traditional Name: 5-acetamido-2-[N'-(2-imino-8-keto-6-sulfo-1-naphthyl)hydrazino]besylate Formula: C18H15N4O8S2- MolecularWeight: 479.4637

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)NNC2=C3C(=CC(=CC3=O)S(=O)(=O)O)C=CC2=N)S(=O)(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)NNC2=C3C(=CC(=CC3=O)S(=O)(=O)O)C=CC2=N)S(=O)(=O)[O-]

InChI

InChI=1S/C18H16N4O8S2/c1-9(23)20-11-3-5-14(16(7-11)32(28,29)30)21-22-18-13(19)4-2-10-6-12(31(25,26)27)8-15(24)17(10)18/h2-8,19,21-22H,1H3,(H,20,23)(H,25,26,27)(H,28,29,30)/p-1