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

Systemtic Name: 4-bromanyl-2-propyl-benzoic acid; [methyl(sulfino)amino]methane Openeye Name: 4-bromo-2-propyl-benzoic acid; [methyl(sulfino)amino]methane CAS Name: 4-bromo-2-propylbenzoic acid; [methyl(sulfino)amino]methane IUPAC Name: 4-bromo-2-propylbenzoic acid; [methyl(sulfino)amino]methane Traditional Name: 4-bromo-2-propyl-benzoic acid; [methyl(sulfino)amino]methane Formula: C12H18BrNO4S MolecularWeight: 352.24462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)Br)C(=O)O.CN(C)S(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)Br)C(=O)O.CN(C)S(=O)O

InChI

InChI=1S/C10H11BrO2.C2H7NO2S/c1-2-3-7-6-8(11)4-5-9(7)10(12)13;1-3(2)6(4)5/h4-6H,2-3H2,1H3,(H,12,13);1-2H3,(H,4,5)