bis[(5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate

Systemtic Name: bis[(5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate Openeye Name: bis[(5R)-2-isopropyl-5-methyl-cyclohexyl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate CAS Name: 3-(4-phenylphenyl)benzene-1,2-dicarboxylic acid bis[(5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: bis[(5R)-5-methyl-2-propan-2-ylcyclohexyl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate Traditional Name: 3-(4-phenylphenyl)benzene-1,2-dicarboxylic acid bis[(5R)-2-isopropyl-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=CC(=C2C(=O)OC3CC(CCC3C(C)C)C)C4=CC=C(C=C4)C5=CC=CC=C5)C(C)C

Isomeric SMILES

C[C@@H]1CCC(C(C1)OC(=O)C2=CC=CC(=C2C(=O)OC3C[C@@H](CCC3C(C)C)C)C4=CC=C(C=C4)C5=CC=CC=C5)C(C)C

InChI

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