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

Systemtic Name: [(E)-[2-(cyanomethyl)-5-methoxy-cyclohexa-2,4-dien-1-ylidene]amino] 2-dodecylbenzenesulfonate Openeye Name: [(E)-[2-(cyanomethyl)-5-methoxy-cyclohexa-2,4-dien-1-ylidene]amino] 2-dodecylbenzenesulfonate CAS Name: 2-dodecylbenzenesulfonic 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] 2-dodecylbenzenesulfonate Traditional Name: 2-laurylbenzenesulfonic acid [(E)-[2-(cyanomethyl)-5-methoxy-cyclohexa-2,4-dien-1-ylidene]amino] ester Formula: C27H38N2O4S MolecularWeight: 486.66662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)ON=C2CC(=CC=C2CC#N)OC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O/N=C/2\CC(=CC=C2CC#N)OC

InChI

InChI=1S/C27H38N2O4S/c1-3-4-5-6-7-8-9-10-11-12-15-24-16-13-14-17-27(24)34(30,31)33-29-26-22-25(32-2)19-18-23(26)20-21-28/h13-14,16-19H,3-12,15,20,22H2,1-2H3/b29-26+