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

Systemtic Name: bis[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] naphthalene-1,4-dicarboxylate Openeye Name: bis[(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] naphthalene-1,4-dicarboxylate CAS Name: naphthalene-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] naphthalene-1,4-dicarboxylate Traditional Name: naphthalene-1,4-dicarboxylic acid bis[(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C44H52O4 MolecularWeight: 644.88128

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC=C(C3=CC=CC=C32)C(=O)OC4CC(CCC4C(C)(C)C5=CC=CC=C5)C)C(C)(C)C6=CC=CC=C6

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC=C(C3=CC=CC=C32)C(=O)O[C@@H]4C[C@@H](CC[C@H]4C(C)(C)C5=CC=CC=C5)C)C(C)(C)C6=CC=CC=C6

InChI

InChI=1S/C44H52O4/c1-29-21-25-37(43(3,4)31-15-9-7-10-16-31)39(27-29)47-41(45)35-23-24-36(34-20-14-13-19-33(34)35)42(46)48-40-28-30(2)22-26-38(40)44(5,6)32-17-11-8-12-18-32/h7-20,23-24,29-30,37-40H,21-22,25-28H2,1-6H3/t29-,30-,37-,38-,39-,40-/m1/s1