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

Systemtic Name: bis[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2,2-bis(prop-2-ynyl)propanedioate Openeye Name: bis[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 2,2-bis(prop-2-ynyl)propanedioate CAS Name: 2,2-bis(prop-2-ynyl)propanedioic acid bis[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: bis[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-bis(prop-2-ynyl)propanedioate Traditional Name: 2,2-dipropargylmalonic acid bis[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C29H44O4 MolecularWeight: 456.65726

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(CC#C)(CC#C)C(=O)OC2CC(CCC2C(C)C)C)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)C(CC#C)(CC#C)C(=O)O[C@H]2C[C@H](CC[C@@H]2C(C)C)C)C(C)C

InChI

InChI=1S/C29H44O4/c1-9-15-29(16-10-2,27(30)32-25-17-21(7)11-13-23(25)19(3)4)28(31)33-26-18-22(8)12-14-24(26)20(5)6/h1-2,19-26H,11-18H2,3-8H3/t21-,22-,23+,24+,25-,26-/m0/s1