[(1S,2S,8bR)-8b-cyclohexyloxy-1-oxidanyl-2,3-dihydro-1H-cyclopenta[a]inden-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(1S,2S,8bR)-8b-cyclohexyloxy-1-oxidanyl-2,3-dihydro-1H-cyclopenta[a]inden-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1S,2S,8bR)-8b-(cyclohexoxy)-1-hydroxy-2,3-dihydro-1H-cyclopenta[a]inden-2-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,2S,8bR)-8b-cyclohexyloxy-1-hydroxy-2,3-dihydro-1H-cyclopenta[a]inden-2-yl] ester IUPAC Name: [(1S,2S,8bR)-8b-cyclohexyloxy-1-hydroxy-2,3-dihydro-1H-cyclopenta[a]inden-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,2S,8bR)-8b-(cyclohexoxy)-1-hydroxy-2,3-dihydro-1H-cyclopent[a]inden-2-yl] ester Formula: C25H28O5S MolecularWeight: 440.55182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC3=CC4=CC=CC=C4C3(C2O)OC5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CC3=CC4=CC=CC=C4[C@]3([C@H]2O)OC5CCCCC5

InChI

InChI=1S/C25H28O5S/c1-17-11-13-21(14-12-17)31(27,28)30-23-16-19-15-18-7-5-6-10-22(18)25(19,24(23)26)29-20-8-3-2-4-9-20/h5-7,10-15,20,23-24,26H,2-4,8-9,16H2,1H3/t23-,24-,25+/m0/s1