[(E)-[2-(cyanomethyl)-5-methoxy-cyclohexa-2,4-dien-1-ylidene]amino] naphthalene-1-sulfonate

Systemtic Name: [(E)-[2-(cyanomethyl)-5-methoxy-cyclohexa-2,4-dien-1-ylidene]amino] naphthalene-1-sulfonate Openeye Name: [(E)-[2-(cyanomethyl)-5-methoxy-cyclohexa-2,4-dien-1-ylidene]amino] naphthalene-1-sulfonate CAS Name: 1-naphthalenesulfonic acid [(E)-[2-(cyanomethyl)-5-methoxy-1-cyclohexa-2,4-dienylidene]amino] ester IUPAC Name: [(E)-[2-(cyanomethyl)-5-methoxycyclohexa-2,4-dien-1-ylidene]amino] naphthalene-1-sulfonate Traditional Name: naphthalene-1-sulfonic acid [(E)-[2-(cyanomethyl)-5-methoxy-cyclohexa-2,4-dien-1-ylidene]amino] ester Formula: C19H16N2O4S MolecularWeight: 368.40634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C(=NOS(=O)(=O)C2=CC=CC3=CC=CC=C32)C1)CC#N

Isomeric SMILES

COC1=CC=C(/C(=N/OS(=O)(=O)C2=CC=CC3=CC=CC=C32)/C1)CC#N

InChI

InChI=1S/C19H16N2O4S/c1-24-16-10-9-15(11-12-20)18(13-16)21-25-26(22,23)19-8-4-6-14-5-2-3-7-17(14)19/h2-10H,11,13H2,1H3/b21-18+