O1-(1-adamantyl) O5-(2-methyl-2-adamantyl) 4-ethyl-2-methyl-2,4-bis(trifluoromethyl)pentanedioate

Systemtic Name: O1-(1-adamantyl) O5-(2-methyl-2-adamantyl) 4-ethyl-2-methyl-2,4-bis(trifluoromethyl)pentanedioate Openeye Name: O1-(1-adamantyl) O5-(2-methyl-2-adamantyl) 4-ethyl-2-methyl-2,4-bis(trifluoromethyl)pentanedioate CAS Name: 4-ethyl-2-methyl-2,4-bis(trifluoromethyl)pentanedioic acid O1-(1-adamantyl) ester O5-(2-methyl-2-adamantyl) ester IUPAC Name: 1-O-(1-adamantyl) 5-O-(2-methyl-2-adamantyl) 4-ethyl-2-methyl-2,4-bis(trifluoromethyl)pentanedioate Traditional Name: 4-ethyl-2-methyl-2,4-bis(trifluoromethyl)glutaric acid O1-(1-adamantyl) ester O5-(2-methyl-2-adamantyl) ester Formula: C31H42F6O4 MolecularWeight: 592.653199

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)(C(=O)OC12CC3CC(C1)CC(C3)C2)C(F)(F)F)(C(=O)OC4(C5CC6CC(C5)CC4C6)C)C(F)(F)F

Isomeric SMILES

CCC(CC(C)(C(=O)OC12CC3CC(C1)CC(C3)C2)C(F)(F)F)(C(=O)OC4(C5CC6CC(C5)CC4C6)C)C(F)(F)F

InChI

InChI=1S/C31H42F6O4/c1-4-29(31(35,36)37,25(39)40-27(3)22-9-17-5-18(11-22)12-23(27)10-17)16-26(2,30(32,33)34)24(38)41-28-13-19-6-20(14-28)8-21(7-19)15-28/h17-23H,4-16H2,1-3H3