(3E)-3-[(4-azanyl-6-sulfo-naphthalen-1-yl)hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: (3E)-3-[(4-azanyl-6-sulfo-naphthalen-1-yl)hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: (3E)-3-[(4-amino-6-sulfo-1-naphthyl)hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: (3E)-3-[(4-amino-6-sulfo-1-naphthalenyl)hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: (3E)-3-[(4-amino-6-sulfonaphthalen-1-yl)hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid Traditional Name: (3E)-3-[(4-amino-6-sulfo-1-naphthyl)hydrazono]-6-keto-cyclohexa-1,4-diene-1-carboxylic acid Formula: C17H13N3O6S MolecularWeight: 387.36662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2C=C1S(=O)(=O)O)N)NN=C3C=CC(=O)C(=C3)C(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2C=C1S(=O)(=O)O)N)N/N=C/3\C=CC(=O)C(=C3)C(=O)O

InChI

InChI=1S/C17H13N3O6S/c18-14-4-5-15(11-3-2-10(8-12(11)14)27(24,25)26)20-19-9-1-6-16(21)13(7-9)17(22)23/h1-8,20H,18H2,(H,22,23)(H,24,25,26)/b19-9+