[9-[3-(3-methoxyphenyl)propyl]-8-phenyl-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [9-[3-(3-methoxyphenyl)propyl]-8-phenyl-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [9-[3-(3-methoxyphenyl)propyl]-8-phenyl-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [9-[3-(3-methoxyphenyl)propyl]-8-phenyl-1,2,3,4-tetrahydrocarbazol-3-yl] ester IUPAC Name: [9-[3-(3-methoxyphenyl)propyl]-8-phenyl-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [9-[3-(3-methoxyphenyl)propyl]-8-phenyl-1,2,3,4-tetrahydrocarbazol-3-yl] ester Formula: C35H35NO4S MolecularWeight: 565.7217

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3=C(C2)C4=C(N3CCCC5=CC(=CC=C5)OC)C(=CC=C4)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3=C(C2)C4=C(N3CCCC5=CC(=CC=C5)OC)C(=CC=C4)C6=CC=CC=C6

InChI

InChI=1S/C35H35NO4S/c1-25-16-19-30(20-17-25)41(37,38)40-29-18-21-34-33(24-29)32-15-7-14-31(27-11-4-3-5-12-27)35(32)36(34)22-8-10-26-9-6-13-28(23-26)39-2/h3-7,9,11-17,19-20,23,29H,8,10,18,21-22,24H2,1-2H3