4-[(2E)-2-(3-isothiocyanato-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]benzenesulfonic acid

Systemtic Name: 4-[(2E)-2-(3-isothiocyanato-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]benzenesulfonic acid Openeye Name: 4-[(2E)-2-(3-isothiocyanato-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]benzenesulfonic acid CAS Name: 4-[(2E)-2-(3-isothiocyanato-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]benzenesulfonic acid IUPAC Name: 4-[(2E)-2-(3-isothiocyanato-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]benzenesulfonic acid Traditional Name: 4-[(N'E)-N'-(3-isothiocyanato-6-keto-cyclohexa-2,4-dien-1-ylidene)hydrazino]besylic acid Formula: C13H9N3O4S2 MolecularWeight: 335.35826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2C=C(C=CC2=O)N=C=S)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N/N=C/2\C=C(C=CC2=O)N=C=S)S(=O)(=O)O

InChI

InChI=1S/C13H9N3O4S2/c17-13-6-3-10(14-8-21)7-12(13)16-15-9-1-4-11(5-2-9)22(18,19)20/h1-7,15H,(H,18,19,20)/b16-12+