[(3E)-5-azanyl-4-oxidanylidene-3-(phenylhydrazinylidene)-7-sulfooxy-naphthalen-2-yl] hydrogen sulfate

Systemtic Name: [(3E)-5-azanyl-4-oxidanylidene-3-(phenylhydrazinylidene)-7-sulfooxy-naphthalen-2-yl] hydrogen sulfate Openeye Name: [(3E)-5-amino-4-oxo-3-(phenylhydrazono)-7-sulfooxy-2-naphthyl] hydrogen sulfate CAS Name: sulfuric acid [(3E)-5-amino-4-oxo-3-(phenylhydrazinylidene)-7-sulfooxy-2-naphthalenyl] ester IUPAC Name: [(3E)-5-amino-4-oxo-3-(phenylhydrazinylidene)-7-sulfooxynaphthalen-2-yl] hydrogen sulfate Traditional Name: sulfuric acid [(3E)-5-amino-4-keto-3-(phenylhydrazono)-7-sulfoxy-2-naphthyl] ester Formula: C16H13N3O9S2 MolecularWeight: 455.41912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NN=C2C(=CC3=CC(=CC(=C3C2=O)N)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N/N=C/2\C(=CC3=CC(=CC(=C3C2=O)N)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C16H13N3O9S2/c17-12-8-11(27-29(21,22)23)6-9-7-13(28-30(24,25)26)15(16(20)14(9)12)19-18-10-4-2-1-3-5-10/h1-8,18H,17H2,(H,21,22,23)(H,24,25,26)/b19-15+