4-chloranyl-2-cyano-benzoic acid; [methyl(sulfino)amino]methane

Systemtic Name: 4-chloranyl-2-cyano-benzoic acid; [methyl(sulfino)amino]methane Openeye Name: 4-chloro-2-cyano-benzoic acid; [methyl(sulfino)amino]methane CAS Name: 4-chloro-2-cyanobenzoic acid; [methyl(sulfino)amino]methane IUPAC Name: 4-chloro-2-cyanobenzoic acid; [methyl(sulfino)amino]methane Traditional Name: 4-chloro-2-cyano-benzoic acid; [methyl(sulfino)amino]methane Formula: C10H11ClN2O4S MolecularWeight: 290.72334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)O.C1=CC(=C(C=C1Cl)C#N)C(=O)O

Isomeric SMILES

CN(C)S(=O)O.C1=CC(=C(C=C1Cl)C#N)C(=O)O

InChI

InChI=1S/C8H4ClNO2.C2H7NO2S/c9-6-1-2-7(8(11)12)5(3-6)4-10;1-3(2)6(4)5/h1-3H,(H,11,12);1-2H3,(H,4,5)