O4-methyl O1-[2-(trifluoromethyl)phenyl] 2-oxidanyl-2-(2-oxidanylideneoctyl)butanedioate

Systemtic Name: O4-methyl O1-[2-(trifluoromethyl)phenyl] 2-oxidanyl-2-(2-oxidanylideneoctyl)butanedioate Openeye Name: O4-methyl O1-[2-(trifluoromethyl)phenyl] 2-hydroxy-2-(2-oxooctyl)butanedioate CAS Name: 2-hydroxy-2-(2-oxooctyl)butanedioic acid O4-methyl ester O1-[2-(trifluoromethyl)phenyl] ester IUPAC Name: 4-O-methyl 1-O-[2-(trifluoromethyl)phenyl] 2-hydroxy-2-(2-oxooctyl)butanedioate Traditional Name: 2-hydroxy-2-(2-ketooctyl)succinic acid O4-methyl ester O1-[2-(trifluoromethyl)phenyl] ester Formula: C20H25F3O6 MolecularWeight: 418.40411

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)CC(CC(=O)OC)(C(=O)OC1=CC=CC=C1C(F)(F)F)O

Isomeric SMILES

CCCCCCC(=O)CC(CC(=O)OC)(C(=O)OC1=CC=CC=C1C(F)(F)F)O

InChI

InChI=1S/C20H25F3O6/c1-3-4-5-6-9-14(24)12-19(27,13-17(25)28-2)18(26)29-16-11-8-7-10-15(16)20(21,22)23/h7-8,10-11,27H,3-6,9,12-13H2,1-2H3