[(E)-5-[4-(2-diethylaminoethyloxy)phenyl]-4,5-diphenyl-pent-4-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-5-[4-(2-diethylaminoethyloxy)phenyl]-4,5-diphenyl-pent-4-enyl] 4-methylbenzenesulfonate Openeye Name: [(E)-5-[4-(2-diethylaminoethyloxy)phenyl]-4,5-diphenyl-pent-4-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-5-[4-(2-diethylaminoethyloxy)phenyl]-4,5-diphenylpent-4-enyl] ester IUPAC Name: [(E)-5-[4-(2-diethylaminoethyloxy)phenyl]-4,5-diphenylpent-4-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-5-[4-(2-diethylaminoethyloxy)phenyl]-4,5-diphenyl-pent-4-enyl] ester Formula: C36H41NO4S MolecularWeight: 583.78004

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=C(C=C1)C(=C(CCCOS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)CCOC1=CC=C(C=C1)/C(=C(\CCCOS(=O)(=O)C2=CC=C(C=C2)C)/C3=CC=CC=C3)/C4=CC=CC=C4

InChI

InChI=1S/C36H41NO4S/c1-4-37(5-2)26-28-40-33-22-20-32(21-23-33)36(31-15-10-7-11-16-31)35(30-13-8-6-9-14-30)17-12-27-41-42(38,39)34-24-18-29(3)19-25-34/h6-11,13-16,18-25H,4-5,12,17,26-28H2,1-3H3/b36-35+