bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(2-oxidanylidene-4-phenyl-butylidene)propanedioate

Systemtic Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(2-oxidanylidene-4-phenyl-butylidene)propanedioate Openeye Name: bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-(2-oxo-4-phenyl-butylidene)propanedioate CAS Name: 2-(2-oxo-4-phenylbutylidene)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-oxo-4-phenylbutylidene)propanedioate Traditional Name: 2-(2-keto-4-phenyl-butylidene)malonic acid bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C33H48O5 MolecularWeight: 524.73122

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(=CC(=O)CCC2=CC=CC=C2)C(=O)OC3CC(CCC3C(C)C)C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(=CC(=O)CCC2=CC=CC=C2)C(=O)O[C@@H]3C[C@@H](CC[C@H]3C(C)C)C)C(C)C

InChI

InChI=1S/C33H48O5/c1-21(2)27-16-12-23(5)18-30(27)37-32(35)29(20-26(34)15-14-25-10-8-7-9-11-25)33(36)38-31-19-24(6)13-17-28(31)22(3)4/h7-11,20-24,27-28,30-31H,12-19H2,1-6H3/t23-,24-,27+,28+,30-,31-/m1/s1