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

Systemtic Name: [(Z)-[5-(4-methoxyphenyl)-3-phenyl-cyclohex-2-en-1-ylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(Z)-[5-(4-methoxyphenyl)-3-phenyl-cyclohex-2-en-1-ylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-[5-(4-methoxyphenyl)-3-phenyl-1-cyclohex-2-enylidene]amino] ester IUPAC Name: [(Z)-[5-(4-methoxyphenyl)-3-phenylcyclohex-2-en-1-ylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-[5-(4-methoxyphenyl)-3-phenyl-cyclohex-2-en-1-ylidene]amino] ester Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO4S/c1-19-8-14-26(15-9-19)32(28,29)31-27-24-17-22(20-6-4-3-5-7-20)16-23(18-24)21-10-12-25(30-2)13-11-21/h3-15,17,23H,16,18H2,1-2H3/b27-24+