[(Z)-[3-(4-chlorophenyl)-5-phenyl-cyclohex-2-en-1-ylidene]amino] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-[3-(4-chlorophenyl)-5-phenyl-cyclohex-2-en-1-ylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(Z)-[3-(4-chlorophenyl)-5-phenyl-cyclohex-2-en-1-ylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-[3-(4-chlorophenyl)-5-phenyl-1-cyclohex-2-enylidene]amino] ester IUPAC Name: [(Z)-[3-(4-chlorophenyl)-5-phenylcyclohex-2-en-1-ylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-[3-(4-chlorophenyl)-5-phenyl-cyclohex-2-en-1-ylidene]amino] ester Formula: C25H22ClNO3S MolecularWeight: 451.96508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C2CC(CC(=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C\2/CC(CC(=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H22ClNO3S/c1-18-7-13-25(14-8-18)31(28,29)30-27-24-16-21(19-5-3-2-4-6-19)15-22(17-24)20-9-11-23(26)12-10-20/h2-14,17,21H,15-16H2,1H3/b27-24-