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

Systemtic Name: 4-bromanyl-2-ethyl-benzoic acid; [methyl(sulfino)amino]methane Openeye Name: 4-bromo-2-ethyl-benzoic acid; [methyl(sulfino)amino]methane CAS Name: 4-bromo-2-ethylbenzoic acid; [methyl(sulfino)amino]methane IUPAC Name: 4-bromo-2-ethylbenzoic acid; [methyl(sulfino)amino]methane Traditional Name: 4-bromo-2-ethyl-benzoic acid; [methyl(sulfino)amino]methane Formula: C11H16BrNO4S MolecularWeight: 338.21804

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)C(=O)O.CN(C)S(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)C(=O)O.CN(C)S(=O)O

InChI

InChI=1S/C9H9BrO2.C2H7NO2S/c1-2-6-5-7(10)3-4-8(6)9(11)12;1-3(2)6(4)5/h3-5H,2H2,1H3,(H,11,12);1-2H3,(H,4,5)