4-bromanyl-2-(fluoranylmethyl)benzoic acid; [methyl(sulfino)amino]methane

Systemtic Name: 4-bromanyl-2-(fluoranylmethyl)benzoic acid; [methyl(sulfino)amino]methane Openeye Name: 4-bromo-2-(fluoromethyl)benzoic acid; [methyl(sulfino)amino]methane CAS Name: 4-bromo-2-(fluoromethyl)benzoic acid; [methyl(sulfino)amino]methane IUPAC Name: 4-bromo-2-(fluoromethyl)benzoic acid; [methyl(sulfino)amino]methane Traditional Name: 4-bromo-2-(fluoromethyl)benzoic acid; [methyl(sulfino)amino]methane Formula: C10H13BrFNO4S MolecularWeight: 342.181923

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)O.C1=CC(=C(C=C1Br)CF)C(=O)O

Isomeric SMILES

CN(C)S(=O)O.C1=CC(=C(C=C1Br)CF)C(=O)O

InChI

InChI=1S/C8H6BrFO2.C2H7NO2S/c9-6-1-2-7(8(11)12)5(3-6)4-10;1-3(2)6(4)5/h1-3H,4H2,(H,11,12);1-2H3,(H,4,5)