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

Systemtic Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(2-oxidanylideneheptylidene)propanedioate Openeye Name: bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-(2-oxoheptylidene)propanedioate CAS Name: 2-(2-oxoheptylidene)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-oxoheptylidene)propanedioate Traditional Name: 2-(2-ketoheptylidene)malonic acid bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C30H50O5 MolecularWeight: 490.715

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C=C(C(=O)OC1CC(CCC1C(C)C)C)C(=O)OC2CC(CCC2C(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H50O5/c1-8-9-10-11-23(31)18-26(29(32)34-27-16-21(6)12-14-24(27)19(2)3)30(33)35-28-17-22(7)13-15-25(28)20(4)5/h18-22,24-25,27-28H,8-17H2,1-7H3/t21-,22-,24+,25+,27-,28-/m1/s1