dimethyl 2-[4-acetyloxy-5-[3-(trifluoromethyl)phenoxy]pentyl]-2-methylsulfonyl-nonanedioate

Systemtic Name: dimethyl 2-[4-acetyloxy-5-[3-(trifluoromethyl)phenoxy]pentyl]-2-methylsulfonyl-nonanedioate Openeye Name: dimethyl 2-[4-acetoxy-5-[3-(trifluoromethyl)phenoxy]pentyl]-2-methylsulfonyl-nonanedioate CAS Name: 2-[4-acetyloxy-5-[3-(trifluoromethyl)phenoxy]pentyl]-2-methylsulfonylnonanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[4-acetyloxy-5-[3-(trifluoromethyl)phenoxy]pentyl]-2-methylsulfonylnonanedioate Traditional Name: 2-[4-acetoxy-5-[3-(trifluoromethyl)phenoxy]pentyl]-2-mesyl-azelaic acid dimethyl ester Formula: C26H37F3O9S MolecularWeight: 582.62679

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCC(CCCCCCC(=O)OC)(C(=O)OC)S(=O)(=O)C)COC1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

CC(=O)OC(CCCC(CCCCCCC(=O)OC)(C(=O)OC)S(=O)(=O)C)COC1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C26H37F3O9S/c1-19(30)38-22(18-37-21-12-9-11-20(17-21)26(27,28)29)13-10-16-25(24(32)36-3,39(4,33)34)15-8-6-5-7-14-23(31)35-2/h9,11-12,17,22H,5-8,10,13-16,18H2,1-4H3