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

Systemtic Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (E)-hex-3-enedioate Openeye Name: bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (E)-hex-3-enedioate CAS Name: (E)-3-hexenedioic acid bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (E)-hex-3-enedioate Traditional Name: (E)-hex-3-enedioic acid bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C26H44O4 MolecularWeight: 420.62516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44O4/c1-17(2)21-13-11-19(5)15-23(21)29-25(27)9-7-8-10-26(28)30-24-16-20(6)12-14-22(24)18(3)4/h7-8,17-24H,9-16H2,1-6H3/b8-7+/t19-,20-,21+,22+,23-,24-/m1/s1