6-methylsulfonyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Systemtic Name: 6-methylsulfonyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Openeye Name: 6-methylsulfonyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: 6-methylsulfonyl-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-methylsulfonyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: 6-mesyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C12H9F3O5S MolecularWeight: 322.25707

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)OC(C(=C2)C(=O)O)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)OC(C(=C2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C12H9F3O5S/c1-21(18,19)7-2-3-9-6(4-7)5-8(11(16)17)10(20-9)12(13,14)15/h2-5,10H,1H3,(H,16,17)