[9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazol-3-yl] ester IUPAC Name: [9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazol-3-yl] ester Formula: C25H22ClNO3S MolecularWeight: 451.96508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3=C(C2)C4=CC=CC=C4N3C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3=C(C2)C4=CC=CC=C4N3C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H22ClNO3S/c1-17-6-13-21(14-7-17)31(28,29)30-20-12-15-25-23(16-20)22-4-2-3-5-24(22)27(25)19-10-8-18(26)9-11-19/h2-11,13-14,20H,12,15-16H2,1H3