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

Systemtic Name: [(3E)-4-oxidanylidene-3-(phenylhydrazinylidene)-7-sulfooxy-naphthalen-2-yl] hydrogen sulfate Openeye Name: [(3E)-4-oxo-3-(phenylhydrazono)-7-sulfooxy-2-naphthyl] hydrogen sulfate CAS Name: sulfuric acid [(3E)-4-oxo-3-(phenylhydrazinylidene)-7-sulfooxy-2-naphthalenyl] ester IUPAC Name: [(3E)-4-oxo-3-(phenylhydrazinylidene)-7-sulfooxynaphthalen-2-yl] hydrogen sulfate Traditional Name: sulfuric acid [(3E)-4-keto-3-(phenylhydrazono)-7-sulfoxy-2-naphthyl] ester Formula: C16H12N2O9S2 MolecularWeight: 440.40448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NN=C2C(=CC3=C(C2=O)C=CC(=C3)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N/N=C/2\C(=CC3=C(C2=O)C=CC(=C3)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C16H12N2O9S2/c19-16-13-7-6-12(26-28(20,21)22)8-10(13)9-14(27-29(23,24)25)15(16)18-17-11-4-2-1-3-5-11/h1-9,17H,(H,20,21,22)(H,23,24,25)/b18-15+