bis[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] benzene-1,4-dicarboxylate

Systemtic Name: bis[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] benzene-1,4-dicarboxylate Openeye Name: bis[(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid bis[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: bis[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid bis[(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C40H50O4 MolecularWeight: 594.8226

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC=C(C=C2)C(=O)OC3CC(CCC3C(C)(C)C4=CC=CC=C4)C)C(C)(C)C5=CC=CC=C5

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC=C(C=C2)C(=O)O[C@@H]3C[C@@H](CC[C@H]3C(C)(C)C4=CC=CC=C4)C)C(C)(C)C5=CC=CC=C5

InChI

InChI=1S/C40H50O4/c1-27-17-23-33(39(3,4)31-13-9-7-10-14-31)35(25-27)43-37(41)29-19-21-30(22-20-29)38(42)44-36-26-28(2)18-24-34(36)40(5,6)32-15-11-8-12-16-32/h7-16,19-22,27-28,33-36H,17-18,23-26H2,1-6H3/t27-,28-,33-,34-,35-,36-/m1/s1