6-chloranyl-7-(4-methylsulfanylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Systemtic Name: 6-chloranyl-7-(4-methylsulfanylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Openeye Name: 6-chloro-7-(4-methylsulfanylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: 6-chloro-7-[4-(methylthio)phenoxy]-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-chloro-7-(4-methylsulfanylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: 6-chloro-7-[4-(methylthio)phenoxy]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C18H12ClF3O4S MolecularWeight: 416.79869

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OC2=C(C=C3C=C(C(OC3=C2)C(F)(F)F)C(=O)O)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)OC2=C(C=C3C=C(C(OC3=C2)C(F)(F)F)C(=O)O)Cl

InChI

InChI=1S/C18H12ClF3O4S/c1-27-11-4-2-10(3-5-11)25-15-8-14-9(7-13(15)19)6-12(17(23)24)16(26-14)18(20,21)22/h2-8,16H,1H3,(H,23,24)