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

Systemtic Name: 2-(fluoranylmethyl)-4-methanoyl-benzoic acid; [methyl(sulfino)amino]methane Openeye Name: 2-(fluoromethyl)-4-formyl-benzoic acid; [methyl(sulfino)amino]methane CAS Name: 2-(fluoromethyl)-4-formylbenzoic acid; [methyl(sulfino)amino]methane IUPAC Name: 2-(fluoromethyl)-4-formylbenzoic acid; [methyl(sulfino)amino]methane Traditional Name: 2-(fluoromethyl)-4-formyl-benzoic acid; [methyl(sulfino)amino]methane Formula: C11H14FNO5S MolecularWeight: 291.295963

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)O.C1=CC(=C(C=C1C=O)CF)C(=O)O

Isomeric SMILES

CN(C)S(=O)O.C1=CC(=C(C=C1C=O)CF)C(=O)O

InChI

InChI=1S/C9H7FO3.C2H7NO2S/c10-4-7-3-6(5-11)1-2-8(7)9(12)13;1-3(2)6(4)5/h1-3,5H,4H2,(H,12,13);1-2H3,(H,4,5)