4-[(2E)-2-(3-cyano-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonic acid

Systemtic Name: 4-[(2E)-2-(3-cyano-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonic acid Openeye Name: 4-[(2E)-2-(3-cyano-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]benzenesulfonic acid CAS Name: 4-[(2E)-2-(3-cyano-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]benzenesulfonic acid IUPAC Name: 4-[(2E)-2-(3-cyano-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonic acid Traditional Name: 4-[(N'E)-N'-(3-cyano-4-keto-cyclohexa-2,5-dien-1-ylidene)hydrazino]besylic acid Formula: C13H9N3O4S MolecularWeight: 303.29326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2C=CC(=O)C(=C2)C#N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N/N=C/2\C=CC(=O)C(=C2)C#N)S(=O)(=O)O

InChI

InChI=1S/C13H9N3O4S/c14-8-9-7-11(3-6-13(9)17)16-15-10-1-4-12(5-2-10)21(18,19)20/h1-7,15H,(H,18,19,20)/b16-11+