2-[3-chloranyl-4-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)phenyl]prop-2-enoic acid

Systemtic Name: 2-[3-chloranyl-4-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)phenyl]prop-2-enoic acid Openeye Name: 2-[3-chloro-4-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)phenyl]prop-2-enoic acid CAS Name: 2-[3-chloro-4-[(2-methoxyphenyl)thio]-2-(trifluoromethyl)phenyl]-2-propenoic acid IUPAC Name: 2-[3-chloro-4-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)phenyl]prop-2-enoic acid Traditional Name: 2-[3-chloro-4-[(2-methoxyphenyl)thio]-2-(trifluoromethyl)phenyl]acrylic acid Formula: C17H12ClF3O3S MolecularWeight: 388.78859

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1SC2=C(C(=C(C=C2)C(=C)C(=O)O)C(F)(F)F)Cl

Isomeric SMILES

COC1=CC=CC=C1SC2=C(C(=C(C=C2)C(=C)C(=O)O)C(F)(F)F)Cl

InChI

InChI=1S/C17H12ClF3O3S/c1-9(16(22)23)10-7-8-13(15(18)14(10)17(19,20)21)25-12-6-4-3-5-11(12)24-2/h3-8H,1H2,2H3,(H,22,23)