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

Systemtic Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (1S,2S,5R)-5-oxidanylcyclohex-3-ene-1,2-dicarboxylate Openeye Name: bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (1S,2S,5R)-5-hydroxycyclohex-3-ene-1,2-dicarboxylate CAS Name: (1S,2S,5R)-5-hydroxycyclohex-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-hydroxycyclohex-3-ene-1,2-dicarboxylate Traditional Name: (1S,2S,5R)-5-hydroxycyclohex-3-ene-1,2-dicarboxylic acid bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C28H46O5 MolecularWeight: 462.66184

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H46O5/c1-16(2)21-10-7-18(5)13-25(21)32-27(30)23-12-9-20(29)15-24(23)28(31)33-26-14-19(6)8-11-22(26)17(3)4/h9,12,16-26,29H,7-8,10-11,13-15H2,1-6H3/t18-,19-,20+,21+,22+,23+,24+,25-,26-/m1/s1