(6,7-dimethyl-5,10-dihydroindeno[1,2-b]indol-8-yl) 4-methylbenzenesulfonate

Systemtic Name: (6,7-dimethyl-5,10-dihydroindeno[1,2-b]indol-8-yl) 4-methylbenzenesulfonate Openeye Name: (6,7-dimethyl-5,10-dihydroindeno[1,2-b]indol-8-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6,7-dimethyl-5,10-dihydroindeno[1,2-b]indol-8-yl) ester IUPAC Name: (6,7-dimethyl-5,10-dihydroindeno[1,2-b]indol-8-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6,7-dimethyl-5,10-dihydroinden[1,2-b]indol-8-yl) ester Formula: C24H21NO3S MolecularWeight: 403.49344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C3C(=C2)C4=C(N3)C5=CC=CC=C5C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C3C(=C2)C4=C(N3)C5=CC=CC=C5C4)C)C

InChI

InChI=1S/C24H21NO3S/c1-14-8-10-18(11-9-14)29(26,27)28-22-13-21-20-12-17-6-4-5-7-19(17)24(20)25-23(21)16(3)15(22)2/h4-11,13,25H,12H2,1-3H3