4-fluoranyl-2-propan-2-yl-benzoic acid; [methyl(sulfino)amino]methane

Systemtic Name: 4-fluoranyl-2-propan-2-yl-benzoic acid; [methyl(sulfino)amino]methane Openeye Name: 4-fluoro-2-isopropyl-benzoic acid; [methyl(sulfino)amino]methane CAS Name: 4-fluoro-2-propan-2-ylbenzoic acid; [methyl(sulfino)amino]methane IUPAC Name: 4-fluoro-2-propan-2-ylbenzoic acid; [methyl(sulfino)amino]methane Traditional Name: 4-fluoro-2-isopropyl-benzoic acid; [methyl(sulfino)amino]methane Formula: C12H18FNO4S MolecularWeight: 291.339023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)F)C(=O)O.CN(C)S(=O)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)F)C(=O)O.CN(C)S(=O)O

InChI

InChI=1S/C10H11FO2.C2H7NO2S/c1-6(2)9-5-7(11)3-4-8(9)10(12)13;1-3(2)6(4)5/h3-6H,1-2H3,(H,12,13);1-2H3,(H,4,5)