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

Systemtic Name: [(E)-[2-(cyanomethyl)cyclohexa-2,4-dien-1-ylidene]amino] 4-dodecylbenzenesulfonate Openeye Name: [(E)-[2-(cyanomethyl)cyclohexa-2,4-dien-1-ylidene]amino] 4-dodecylbenzenesulfonate CAS Name: 4-dodecylbenzenesulfonic acid [(E)-[2-(cyanomethyl)-1-cyclohexa-2,4-dienylidene]amino] ester IUPAC Name: [(E)-[2-(cyanomethyl)cyclohexa-2,4-dien-1-ylidene]amino] 4-dodecylbenzenesulfonate Traditional Name: 4-laurylbenzenesulfonic acid [(E)-[2-(cyanomethyl)cyclohexa-2,4-dien-1-ylidene]amino] ester Formula: C26H36N2O3S MolecularWeight: 456.64064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)ON=C2CC=CC=C2CC#N

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O/N=C/2\CC=CC=C2CC#N

InChI

InChI=1S/C26H36N2O3S/c1-2-3-4-5-6-7-8-9-10-11-14-23-17-19-25(20-18-23)32(29,30)31-28-26-16-13-12-15-24(26)21-22-27/h12-13,15,17-20H,2-11,14,16,21H2,1H3/b28-26+