2-[(E)-but-2-enyl]sulfanyl-5-(trifluoromethyl)benzoic acid

Systemtic Name: 2-[(E)-but-2-enyl]sulfanyl-5-(trifluoromethyl)benzoic acid Openeye Name: 2-[(E)-but-2-enyl]sulfanyl-5-(trifluoromethyl)benzoic acid CAS Name: 2-[[(E)-but-2-enyl]thio]-5-(trifluoromethyl)benzoic acid IUPAC Name: 2-[(E)-but-2-enyl]sulfanyl-5-(trifluoromethyl)benzoic acid Traditional Name: 2-[[(E)-but-2-enyl]thio]-5-(trifluoromethyl)benzoic acid Formula: C12H11F3O2S MolecularWeight: 276.27475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CCSC1=C(C=C(C=C1)C(F)(F)F)C(=O)O

Isomeric SMILES

C/C=C/CSC1=C(C=C(C=C1)C(F)(F)F)C(=O)O

InChI

InChI=1S/C12H11F3O2S/c1-2-3-6-18-10-5-4-8(12(13,14)15)7-9(10)11(16)17/h2-5,7H,6H2,1H3,(H,16,17)/b3-2+