[(Z)-4-[4-(2-dimethylaminoethyloxy)phenyl]-3,4-diphenyl-but-3-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-4-[4-(2-dimethylaminoethyloxy)phenyl]-3,4-diphenyl-but-3-enyl] 4-methylbenzenesulfonate Openeye Name: [(Z)-4-[4-(2-dimethylaminoethyloxy)phenyl]-3,4-diphenyl-but-3-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-4-[4-(2-dimethylaminoethyloxy)phenyl]-3,4-diphenylbut-3-enyl] ester IUPAC Name: [(Z)-4-[4-(2-dimethylaminoethyloxy)phenyl]-3,4-diphenylbut-3-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-4-[4-(2-dimethylaminoethyloxy)phenyl]-3,4-diphenyl-but-3-enyl] ester Formula: C33H35NO4S MolecularWeight: 541.7003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(=C(C2=CC=CC=C2)C3=CC=C(C=C3)OCCN(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC/C(=C(\C2=CC=CC=C2)/C3=CC=C(C=C3)OCCN(C)C)/C4=CC=CC=C4

InChI

InChI=1S/C33H35NO4S/c1-26-14-20-31(21-15-26)39(35,36)38-24-22-32(27-10-6-4-7-11-27)33(28-12-8-5-9-13-28)29-16-18-30(19-17-29)37-25-23-34(2)3/h4-21H,22-25H2,1-3H3/b33-32-