2-[bis(fluoranyl)methyl]-6-(trifluoromethylsulfanyl)-2H-chromene-3-carboxylic acid

Systemtic Name: 2-[bis(fluoranyl)methyl]-6-(trifluoromethylsulfanyl)-2H-chromene-3-carboxylic acid Openeye Name: 2-(difluoromethyl)-6-(trifluoromethylsulfanyl)-2H-chromene-3-carboxylic acid CAS Name: 2-(difluoromethyl)-6-(trifluoromethylthio)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 2-(difluoromethyl)-6-(trifluoromethylsulfanyl)-2H-chromene-3-carboxylic acid Traditional Name: 2-(difluoromethyl)-6-(trifluoromethylthio)-2H-chromene-3-carboxylic acid Formula: C12H7F5O3S MolecularWeight: 326.239196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1SC(F)(F)F)C=C(C(O2)C(F)F)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1SC(F)(F)F)C=C(C(O2)C(F)F)C(=O)O

InChI

InChI=1S/C12H7F5O3S/c13-10(14)9-7(11(18)19)4-5-3-6(21-12(15,16)17)1-2-8(5)20-9/h1-4,9-10H,(H,18,19)