bis[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] naphthalene-2,3-dicarboxylate

Systemtic Name: bis[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] naphthalene-2,3-dicarboxylate Openeye Name: bis[(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] naphthalene-2,3-dicarboxylate CAS Name: naphthalene-2,3-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-2,3-dicarboxylate Traditional Name: naphthalene-2,3-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=CC3=CC=CC=C3C=C2C(=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=CC3=CC=CC=C3C=C2C(=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/c1-29-21-23-37(43(3,4)33-17-9-7-10-18-33)39(25-29)47-41(45)35-27-31-15-13-14-16-32(31)28-36(35)42(46)48-40-26-30(2)22-24-38(40)44(5,6)34-19-11-8-12-20-34/h7-20,27-30,37-40H,21-26H2,1-6H3/t29-,30-,37-,38-,39-,40-/m1/s1