bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (1S,2S,5R)-5-methylsulfonyloxycyclohex-3-ene-1,2-dicarboxylate

Systemtic Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (1S,2S,5R)-5-methylsulfonyloxycyclohex-3-ene-1,2-dicarboxylate Openeye Name: bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (1S,2S,5R)-5-methylsulfonyloxycyclohex-3-ene-1,2-dicarboxylate CAS Name: (1S,2S,5R)-5-methylsulfonyloxycyclohex-3-ene-1,2-dicarboxylic acid bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1S,2S,5R)-5-methylsulfonyloxycyclohex-3-ene-1,2-dicarboxylate Traditional Name: (1S,2S,5R)-5-methylsulfonyloxycyclohex-3-ene-1,2-dicarboxylic acid bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C29H48O7S MolecularWeight: 540.75222

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2CC(C=CC2C(=O)OC3CC(CCC3C(C)C)C)OS(=O)(=O)C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]2C[C@H](C=C[C@@H]2C(=O)O[C@@H]3C[C@@H](CC[C@H]3C(C)C)C)OS(=O)(=O)C)C(C)C

InChI

InChI=1S/C29H48O7S/c1-17(2)22-11-8-19(5)14-26(22)34-28(30)24-13-10-21(36-37(7,32)33)16-25(24)29(31)35-27-15-20(6)9-12-23(27)18(3)4/h10,13,17-27H,8-9,11-12,14-16H2,1-7H3/t19-,20-,21+,22+,23+,24+,25+,26-,27-/m1/s1