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

Systemtic Name: [(E)-[2-(cyanomethyl)cyclohexa-2,4-dien-1-ylidene]amino] 4-chloranylbenzenesulfonate Openeye Name: [(E)-[2-(cyanomethyl)cyclohexa-2,4-dien-1-ylidene]amino] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [(E)-[2-(cyanomethyl)-1-cyclohexa-2,4-dienylidene]amino] ester IUPAC Name: [(E)-[2-(cyanomethyl)cyclohexa-2,4-dien-1-ylidene]amino] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [(E)-[2-(cyanomethyl)cyclohexa-2,4-dien-1-ylidene]amino] ester Formula: C14H11ClN2O3S MolecularWeight: 322.76674

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C(C1=NOS(=O)(=O)C2=CC=C(C=C2)Cl)CC#N

Isomeric SMILES

C\1C=CC=C(/C1=N/OS(=O)(=O)C2=CC=C(C=C2)Cl)CC#N

InChI

InChI=1S/C14H11ClN2O3S/c15-12-5-7-13(8-6-12)21(18,19)20-17-14-4-2-1-3-11(14)9-10-16/h1-3,5-8H,4,9H2/b17-14+