(E)-3-(3,4-dimethoxyphenyl)sulfanyl-3-[2-(trifluoromethyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)sulfanyl-3-[2-(trifluoromethyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-(3,4-dimethoxyphenyl)sulfanyl-3-[2-(trifluoromethyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[(3,4-dimethoxyphenyl)thio]-3-[2-(trifluoromethyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)sulfanyl-3-[2-(trifluoromethyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[(3,4-dimethoxyphenyl)thio]-3-[2-(trifluoromethyl)phenyl]acrylic acid Formula: C18H15F3O4S MolecularWeight: 384.36951

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SC(=CC(=O)O)C2=CC=CC=C2C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S/C(=C/C(=O)O)/C2=CC=CC=C2C(F)(F)F)OC

InChI

InChI=1S/C18H15F3O4S/c1-24-14-8-7-11(9-15(14)25-2)26-16(10-17(22)23)12-5-3-4-6-13(12)18(19,20)21/h3-10H,1-2H3,(H,22,23)/b16-10+