[(Z)-[(E)-1-cyano-2-oxidanylidene-4-phenyl-but-3-enylidene]amino] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-[(E)-1-cyano-2-oxidanylidene-4-phenyl-but-3-enylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(Z)-[(E)-1-cyano-2-oxo-4-phenyl-but-3-enylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-[(E)-1-cyano-2-oxo-4-phenylbut-3-enylidene]amino] ester IUPAC Name: [(Z)-[(E)-1-cyano-2-oxo-4-phenylbut-3-enylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-[(E)-1-cyano-2-keto-4-phenyl-but-3-enylidene]amino] ester Formula: C18H14N2O4S MolecularWeight: 354.37976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C(C#N)C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C(/C#N)\C(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C18H14N2O4S/c1-14-7-10-16(11-8-14)25(22,23)24-20-17(13-19)18(21)12-9-15-5-3-2-4-6-15/h2-12H,1H3/b12-9+,20-17-