[(E)-[3-(aminomethyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]amino] benzenesulfonate

Systemtic Name: [(E)-[3-(aminomethyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]amino] benzenesulfonate Openeye Name: [(E)-[3-(aminomethyl)-4-oxo-cyclohexa-2,5-dien-1-ylidene]amino] benzenesulfonate CAS Name: benzenesulfonic acid [(E)-[3-(aminomethyl)-4-oxo-1-cyclohexa-2,5-dienylidene]amino] ester IUPAC Name: [(E)-[3-(aminomethyl)-4-oxocyclohexa-2,5-dien-1-ylidene]amino] benzenesulfonate Traditional Name: benzenesulfonic acid [(E)-[3-(aminomethyl)-4-keto-cyclohexa-2,5-dien-1-ylidene]amino] ester Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)ON=C2C=CC(=O)C(=C2)CN

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O4S/c14-9-10-8-11(6-7-13(10)16)15-19-20(17,18)12-4-2-1-3-5-12/h1-8H,9,14H2/b15-11+