[(4bR,9bR)-5,7-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indol-6-yl] 4-methylbenzenesulfonate

Systemtic Name: [(4bR,9bR)-5,7-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indol-6-yl] 4-methylbenzenesulfonate Openeye Name: [(4bR,9bR)-5,7-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indol-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(4bR,9bR)-5,7-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indol-6-yl] ester IUPAC Name: [(4bR,9bR)-5,7-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indol-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(4bR,9bR)-5,7-dimethyl-9b,10-dihydro-4bH-inden[1,2-b]indol-6-yl] ester Formula: C24H23NO3S MolecularWeight: 405.50932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC3=C2N(C4C3CC5=CC=CC=C45)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC3=C2N([C@@H]4[C@@H]3CC5=CC=CC=C45)C)C

InChI

InChI=1S/C24H23NO3S/c1-15-8-11-18(12-9-15)29(26,27)28-24-16(2)10-13-20-21-14-17-6-4-5-7-19(17)22(21)25(3)23(20)24/h4-13,21-22H,14H2,1-3H3/t21-,22+/m1/s1