bis[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (1R,2R)-cyclohex-4-ene-1,2-dicarboxylate

Systemtic Name: bis[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (1R,2R)-cyclohex-4-ene-1,2-dicarboxylate Openeye Name: bis[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] (1R,2R)-cyclohex-4-ene-1,2-dicarboxylate CAS Name: (1R,2R)-cyclohex-4-ene-1,2-dicarboxylic acid bis[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: bis[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2R)-cyclohex-4-ene-1,2-dicarboxylate Traditional Name: (1R,2R)-cyclohex-4-ene-1,2-dicarboxylic acid bis[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C28H46O4 MolecularWeight: 446.66244

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2CC=CCC2C(=O)OC3CC(CCC3C(C)C)C)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H46O4/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/h7-8,17-26H,9-16H2,1-6H3/t19-,20-,21+,22+,23+,24+,25-,26-/m0/s1