bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2E,7E)-nona-2,7-dienedioate

Systemtic Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2E,7E)-nona-2,7-dienedioate Openeye Name: bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2E,7E)-nona-2,7-dienedioate CAS Name: (2E,7E)-nona-2,7-dienedioic acid bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2E,7E)-nona-2,7-dienedioate Traditional Name: (2E,7E)-nona-2,7-dienedioic acid bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C29H48O4 MolecularWeight: 460.68902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1C[C@H]([C@@H](CC1)C(C)C)OC(=O)/C=C/CCC/C=C/C(=O)O[C@H]2[C@@H](CC[C@H](C2)C)C(C)C

InChI

InChI=1S/C29H48O4/c1-20(2)24-16-14-22(5)18-26(24)32-28(30)12-10-8-7-9-11-13-29(31)33-27-19-23(6)15-17-25(27)21(3)4/h10-13,20-27H,7-9,14-19H2,1-6H3/b12-10+,13-11+/t22-,23-,24+,25+,26-,27-/m1/s1