methyl 4-[1,1,1,2,3,3,3-heptakis(fluoranyl)propan-2-yl]-2-methylsulfonyl-benzoate

Systemtic Name: methyl 4-[1,1,1,2,3,3,3-heptakis(fluoranyl)propan-2-yl]-2-methylsulfonyl-benzoate Openeye Name: methyl 2-methylsulfonyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]benzoate CAS Name: 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylsulfonylbenzoate Traditional Name: 2-mesyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]benzoic acid methyl ester Formula: C12H9F7O4S MolecularWeight: 382.251282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)C

InChI

InChI=1S/C12H9F7O4S/c1-23-9(20)7-4-3-6(5-8(7)24(2,21)22)10(13,11(14,15)16)12(17,18)19/h3-5H,1-2H3