(2S)-6-chloranyl-8-(4-methylsulfanylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Systemtic Name: (2S)-6-chloranyl-8-(4-methylsulfanylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Openeye Name: (2S)-6-chloro-8-(4-methylsulfanylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: (2S)-6-chloro-8-[4-(methylthio)phenyl]-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: (2S)-6-chloro-8-(4-methylsulfanylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: (2S)-6-chloro-8-[4-(methylthio)phenyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C18H12ClF3O3S MolecularWeight: 400.79929

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC(=CC3=C2OC(C(=C3)C(=O)O)C(F)(F)F)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC(=CC3=C2O[C@@H](C(=C3)C(=O)O)C(F)(F)F)Cl

InChI

InChI=1S/C18H12ClF3O3S/c1-26-12-4-2-9(3-5-12)13-8-11(19)6-10-7-14(17(23)24)16(18(20,21)22)25-15(10)13/h2-8,16H,1H3,(H,23,24)/t16-/m0/s1