O1-methyl O3-(trifluoromethyl) 2-methyl-2-(4-pentylphenyl)propanedioate

Systemtic Name: O1-methyl O3-(trifluoromethyl) 2-methyl-2-(4-pentylphenyl)propanedioate Openeye Name: O1-methyl O3-(trifluoromethyl) 2-methyl-2-(4-pentylphenyl)propanedioate CAS Name: 2-methyl-2-(4-pentylphenyl)propanedioic acid O1-methyl ester O3-(trifluoromethyl) ester IUPAC Name: 1-O-methyl 3-O-(trifluoromethyl) 2-methyl-2-(4-pentylphenyl)propanedioate Traditional Name: 2-(4-amylphenyl)-2-methyl-malonic acid O1-methyl ester O3-(trifluoromethyl) ester Formula: C17H21F3O4 MolecularWeight: 346.34145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(C)(C(=O)OC)C(=O)OC(F)(F)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(C)(C(=O)OC)C(=O)OC(F)(F)F

InChI

InChI=1S/C17H21F3O4/c1-4-5-6-7-12-8-10-13(11-9-12)16(2,14(21)23-3)15(22)24-17(18,19)20/h8-11H,4-7H2,1-3H3