2-ethylsulfanyl-2-methyl-3-[3-(trifluoromethyl)phenyl]carbonyl-butanedioic acid

Systemtic Name: 2-ethylsulfanyl-2-methyl-3-[3-(trifluoromethyl)phenyl]carbonyl-butanedioic acid Openeye Name: 2-ethylsulfanyl-2-methyl-3-[3-(trifluoromethyl)benzoyl]butanedioic acid CAS Name: 2-(ethylthio)-2-methyl-3-[oxo-[3-(trifluoromethyl)phenyl]methyl]butanedioic acid IUPAC Name: 2-ethylsulfanyl-2-methyl-3-[3-(trifluoromethyl)benzoyl]butanedioic acid Traditional Name: 2-(ethylthio)-2-methyl-3-[3-(trifluoromethyl)benzoyl]succinic acid Formula: C15H15F3O5S MolecularWeight: 364.33681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(C)(C(C(=O)C1=CC(=CC=C1)C(F)(F)F)C(=O)O)C(=O)O

Isomeric SMILES

CCSC(C)(C(C(=O)C1=CC(=CC=C1)C(F)(F)F)C(=O)O)C(=O)O

InChI

InChI=1S/C15H15F3O5S/c1-3-24-14(2,13(22)23)10(12(20)21)11(19)8-5-4-6-9(7-8)15(16,17)18/h4-7,10H,3H2,1-2H3,(H,20,21)(H,22,23)