bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-phenylcyclopropane-1,1-dicarboxylate

Systemtic Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-phenylcyclopropane-1,1-dicarboxylate Openeye Name: bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-phenylcyclopropane-1,1-dicarboxylate CAS Name: 2-phenylcyclopropane-1,1-dicarboxylic acid bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-phenylcyclopropane-1,1-dicarboxylate Traditional Name: 2-phenylcyclopropane-1,1-dicarboxylic acid bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C31H46O4 MolecularWeight: 482.69454

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2(CC2C3=CC=CC=C3)C(=O)OC4CC(CCC4C(C)C)C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2(CC2C3=CC=CC=C3)C(=O)O[C@@H]4C[C@@H](CC[C@H]4C(C)C)C)C(C)C

InChI

InChI=1S/C31H46O4/c1-19(2)24-14-12-21(5)16-27(24)34-29(32)31(18-26(31)23-10-8-7-9-11-23)30(33)35-28-17-22(6)13-15-25(28)20(3)4/h7-11,19-22,24-28H,12-18H2,1-6H3/t21-,22-,24+,25+,26?,27-,28-/m1/s1