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

Systemtic Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3-oxidanylidenepentanedioate Openeye Name: bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 3-oxopentanedioate CAS Name: 3-oxopentanedioic acid bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3-oxopentanedioate Traditional Name: 3-ketoglutaric acid bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C25H42O5 MolecularWeight: 422.59798

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CC(=O)CC(=O)OC2CC(CCC2C(C)C)C)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H42O5/c1-15(2)20-9-7-17(5)11-22(20)29-24(27)13-19(26)14-25(28)30-23-12-18(6)8-10-21(23)16(3)4/h15-18,20-23H,7-14H2,1-6H3/t17-,18-,20+,21+,22-,23-/m1/s1