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

Systemtic Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-phenacylidenepropanedioate Openeye Name: bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-phenacylidenepropanedioate CAS Name: 2-phenacylidenepropanedioic 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-phenacylidenepropanedioate Traditional Name: 2-phenacylidenemalonic acid bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C31H44O5 MolecularWeight: 496.67806

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(=CC(=O)C2=CC=CC=C2)C(=O)OC3CC(CCC3C(C)C)C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(=CC(=O)C2=CC=CC=C2)C(=O)O[C@@H]3C[C@@H](CC[C@H]3C(C)C)C)C(C)C

InChI

InChI=1S/C31H44O5/c1-19(2)24-14-12-21(5)16-28(24)35-30(33)26(18-27(32)23-10-8-7-9-11-23)31(34)36-29-17-22(6)13-15-25(29)20(3)4/h7-11,18-22,24-25,28-29H,12-17H2,1-6H3/t21-,22-,24+,25+,28-,29-/m1/s1