[(E)-[cyano-(4-methylsulfanylphenyl)methylidene]amino] 4-dodecylbenzenesulfonate

Systemtic Name: [(E)-[cyano-(4-methylsulfanylphenyl)methylidene]amino] 4-dodecylbenzenesulfonate Openeye Name: [(E)-[cyano-(4-methylsulfanylphenyl)methylene]amino] 4-dodecylbenzenesulfonate CAS Name: 4-dodecylbenzenesulfonic acid [(E)-[cyano-[4-(methylthio)phenyl]methylidene]amino] ester IUPAC Name: [(E)-[cyano-(4-methylsulfanylphenyl)methylidene]amino] 4-dodecylbenzenesulfonate Traditional Name: 4-laurylbenzenesulfonic acid [(E)-[cyano-[4-(methylthio)phenyl]methylene]amino] ester Formula: C27H36N2O3S2 MolecularWeight: 500.71634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)ON=C(C#N)C2=CC=C(C=C2)SC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O/N=C(/C#N)\C2=CC=C(C=C2)SC

InChI

InChI=1S/C27H36N2O3S2/c1-3-4-5-6-7-8-9-10-11-12-13-23-14-20-26(21-15-23)34(30,31)32-29-27(22-28)24-16-18-25(33-2)19-17-24/h14-21H,3-13H2,1-2H3/b29-27-