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

Systemtic Name: 2-butyl-4-fluoranyl-benzoic acid; [methyl(sulfino)amino]methane Openeye Name: 2-butyl-4-fluoro-benzoic acid; [methyl(sulfino)amino]methane CAS Name: 2-butyl-4-fluorobenzoic acid; [methyl(sulfino)amino]methane IUPAC Name: 2-butyl-4-fluorobenzoic acid; [methyl(sulfino)amino]methane Traditional Name: 2-butyl-4-fluoro-benzoic acid; [methyl(sulfino)amino]methane Formula: C13H20FNO4S MolecularWeight: 305.365603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)F)C(=O)O.CN(C)S(=O)O

Isomeric SMILES

CCCCC1=C(C=CC(=C1)F)C(=O)O.CN(C)S(=O)O

InChI

InChI=1S/C11H13FO2.C2H7NO2S/c1-2-3-4-8-7-9(12)5-6-10(8)11(13)14;1-3(2)6(4)5/h5-7H,2-4H2,1H3,(H,13,14);1-2H3,(H,4,5)