[(E)-(3,4-diphenylcyclohex-2-en-1-ylidene)amino] 4-methylbenzenesulfonate

Systemtic Name: [(E)-(3,4-diphenylcyclohex-2-en-1-ylidene)amino] 4-methylbenzenesulfonate Openeye Name: [(E)-(3,4-diphenylcyclohex-2-en-1-ylidene)amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-(3,4-diphenyl-1-cyclohex-2-enylidene)amino] ester IUPAC Name: [(E)-(3,4-diphenylcyclohex-2-en-1-ylidene)amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-(3,4-diphenylcyclohex-2-en-1-ylidene)amino] ester Formula: C25H23NO3S MolecularWeight: 417.52002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C2CCC(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO3S/c1-19-12-15-23(16-13-19)30(27,28)29-26-22-14-17-24(20-8-4-2-5-9-20)25(18-22)21-10-6-3-7-11-21/h2-13,15-16,18,24H,14,17H2,1H3/b26-22+