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

Systemtic Name: bis[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (Z)-3-chloranylpent-2-enedioate Openeye Name: bis[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] (Z)-3-chloropent-2-enedioate CAS Name: (Z)-3-chloro-2-pentenedioic acid bis[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: bis[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (Z)-3-chloropent-2-enedioate Traditional Name: (Z)-3-chloropent-2-enedioic acid bis[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C25H41ClO4 MolecularWeight: 441.04364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41ClO4/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/h13,15-18,20-23H,7-12,14H2,1-6H3/b19-13-/t17-,18-,20+,21+,22-,23-/m0/s1