6-(4-methylsulfanylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Systemtic Name: 6-(4-methylsulfanylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Openeye Name: 6-(4-methylsulfanylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: 6-[4-(methylthio)phenyl]-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-(4-methylsulfanylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: 6-[4-(methylthio)phenyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C18H13F3O3S MolecularWeight: 366.35423

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(C(=C3)C(=O)O)C(F)(F)F

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(C(=C3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C18H13F3O3S/c1-25-13-5-2-10(3-6-13)11-4-7-15-12(8-11)9-14(17(22)23)16(24-15)18(19,20)21/h2-9,16H,1H3,(H,22,23)