[(E)-[2-(cyanomethyl)cyclohexa-2,4-dien-1-ylidene]amino] 4-methylbenzenesulfonate

Systemtic Name: [(E)-[2-(cyanomethyl)cyclohexa-2,4-dien-1-ylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(E)-[2-(cyanomethyl)cyclohexa-2,4-dien-1-ylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-[2-(cyanomethyl)-1-cyclohexa-2,4-dienylidene]amino] ester IUPAC Name: [(E)-[2-(cyanomethyl)cyclohexa-2,4-dien-1-ylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-[2-(cyanomethyl)cyclohexa-2,4-dien-1-ylidene]amino] ester Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C2CC=CC=C2CC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C/2\CC=CC=C2CC#N

InChI

InChI=1S/C15H14N2O3S/c1-12-6-8-14(9-7-12)21(18,19)20-17-15-5-3-2-4-13(15)10-11-16/h2-4,6-9H,5,10H2,1H3/b17-15+