2-[(E)-3-phenylprop-2-enyl]sulfanyl-5-(trifluoromethyl)benzoic acid

Systemtic Name: 2-[(E)-3-phenylprop-2-enyl]sulfanyl-5-(trifluoromethyl)benzoic acid Openeye Name: 2-[(E)-cinnamyl]sulfanyl-5-(trifluoromethyl)benzoic acid CAS Name: 2-[[(E)-3-phenylprop-2-enyl]thio]-5-(trifluoromethyl)benzoic acid IUPAC Name: 2-[(E)-3-phenylprop-2-enyl]sulfanyl-5-(trifluoromethyl)benzoic acid Traditional Name: 2-[[(E)-cinnamyl]thio]-5-(trifluoromethyl)benzoic acid Formula: C17H13F3O2S MolecularWeight: 338.34413

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCSC2=C(C=C(C=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CSC2=C(C=C(C=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C17H13F3O2S/c18-17(19,20)13-8-9-15(14(11-13)16(21)22)23-10-4-7-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,21,22)/b7-4+