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

Systemtic Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (1S,2S)-cyclohexane-1,2-dicarboxylate Openeye Name: bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (1S,2S)-cyclohexane-1,2-dicarboxylate CAS Name: (1S,2S)-cyclohexane-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)-cyclohexane-1,2-dicarboxylate Traditional Name: (1S,2S)-cyclohexane-1,2-dicarboxylic acid bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C28H48O4 MolecularWeight: 448.67832

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2CCCCC2C(=O)OC3CC(CCC3C(C)C)C)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H48O4/c1-17(2)21-13-11-19(5)15-25(21)31-27(29)23-9-7-8-10-24(23)28(30)32-26-16-20(6)12-14-22(26)18(3)4/h17-26H,7-16H2,1-6H3/t19-,20-,21+,22+,23+,24+,25-,26-/m1/s1