bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(2-oxidanylidenehex-5-enylidene)propanedioate

Systemtic Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(2-oxidanylidenehex-5-enylidene)propanedioate Openeye Name: bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-(2-oxohex-5-enylidene)propanedioate CAS Name: 2-(2-oxohex-5-enylidene)propanedioic acid bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-oxohex-5-enylidene)propanedioate Traditional Name: 2-(2-ketohex-5-enylidene)malonic acid bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C29H46O5 MolecularWeight: 474.67254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H46O5/c1-8-9-10-22(30)17-25(28(31)33-26-15-20(6)11-13-23(26)18(2)3)29(32)34-27-16-21(7)12-14-24(27)19(4)5/h8,17-21,23-24,26-27H,1,9-16H2,2-7H3/t20-,21-,23+,24+,26-,27-/m1/s1