2-(fluoranylmethyl)-5-methyl-1,1,4-tris(oxidanylidene)-2,3-dihydrothiochromene-6-carboxylic acid

Systemtic Name: 2-(fluoranylmethyl)-5-methyl-1,1,4-tris(oxidanylidene)-2,3-dihydrothiochromene-6-carboxylic acid Openeye Name: 2-(fluoromethyl)-5-methyl-1,1,4-trioxo-2,3-dihydrothiochromene-6-carboxylic acid CAS Name: 2-(fluoromethyl)-5-methyl-1,1,4-trioxo-2,3-dihydro-1-benzothiopyran-6-carboxylic acid IUPAC Name: 2-(fluoromethyl)-5-methyl-1,1,4-trioxo-2,3-dihydrothiochromene-6-carboxylic acid Traditional Name: 2-(fluoromethyl)-1,1,4-triketo-5-methyl-2,3-dihydrothiochromene-6-carboxylic acid Formula: C12H11FO5S MolecularWeight: 286.276143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)CC(S2(=O)=O)CF)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)CC(S2(=O)=O)CF)C(=O)O

InChI

InChI=1S/C12H11FO5S/c1-6-8(12(15)16)2-3-10-11(6)9(14)4-7(5-13)19(10,17)18/h2-3,7H,4-5H2,1H3,(H,15,16)