bis[(1R,2S,5R)-2-(diphenylmethyl)-5-methyl-cyclohexyl] naphthalene-1,8-dicarboxylate

Systemtic Name: bis[(1R,2S,5R)-2-(diphenylmethyl)-5-methyl-cyclohexyl] naphthalene-1,8-dicarboxylate Openeye Name: bis[(1R,2S,5R)-2-benzhydryl-5-methyl-cyclohexyl] naphthalene-1,8-dicarboxylate CAS Name: naphthalene-1,8-dicarboxylic acid bis[(1R,2S,5R)-2-(diphenylmethyl)-5-methylcyclohexyl] ester IUPAC Name: bis[(1R,2S,5R)-2-benzhydryl-5-methylcyclohexyl] naphthalene-1,8-dicarboxylate Traditional Name: naphthalene-1,8-dicarboxylic acid bis[(1R,2S,5R)-2-benzhydryl-5-methyl-cyclohexyl] ester Formula: C52H52O4 MolecularWeight: 740.96688

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC=CC3=C2C(=CC=C3)C(=O)OC4CC(CCC4C(C5=CC=CC=C5)C6=CC=CC=C6)C)C(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC=CC3=C2C(=CC=C3)C(=O)O[C@@H]4C[C@@H](CC[C@H]4C(C5=CC=CC=C5)C6=CC=CC=C6)C)C(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C52H52O4/c1-35-29-31-42(48(37-17-7-3-8-18-37)38-19-9-4-10-20-38)46(33-35)55-51(53)44-27-15-25-41-26-16-28-45(50(41)44)52(54)56-47-34-36(2)30-32-43(47)49(39-21-11-5-12-22-39)40-23-13-6-14-24-40/h3-28,35-36,42-43,46-49H,29-34H2,1-2H3/t35-,36-,42-,43-,46-,47-/m1/s1