3,4-bis(fluoranyl)-2-methyl-benzoic acid; methanesulfonamide

Systemtic Name: 3,4-bis(fluoranyl)-2-methyl-benzoic acid; methanesulfonamide Openeye Name: 3,4-difluoro-2-methyl-benzoic acid; methanesulfonamide CAS Name: 3,4-difluoro-2-methylbenzoic acid; methanesulfonamide IUPAC Name: 3,4-difluoro-2-methylbenzoic acid; methanesulfonamide Traditional Name: 3,4-difluoro-2-methyl-benzoic acid; methanesulfonamide Formula: C9H11F2NO4S MolecularWeight: 267.249746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1F)F)C(=O)O.CS(=O)(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1F)F)C(=O)O.CS(=O)(=O)N

InChI

InChI=1S/C8H6F2O2.CH5NO2S/c1-4-5(8(11)12)2-3-6(9)7(4)10;1-5(2,3)4/h2-3H,1H3,(H,11,12);1H3,(H2,2,3,4)