4-cyanobenzenesulfonic acid; 4-methylaniline

Systemtic Name: 4-cyanobenzenesulfonic acid; 4-methylaniline Openeye Name: 4-cyanobenzenesulfonic acid; 4-methylaniline CAS Name: 4-cyanobenzenesulfonic acid; 4-methylaniline IUPAC Name: 4-cyanobenzenesulfonic acid; 4-methylaniline Traditional Name: 4-cyanobesylic acid; p-toluidine Formula: C14H14N2O3S MolecularWeight: 290.33756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N.C1=CC(=CC=C1C#N)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N.C1=CC(=CC=C1C#N)S(=O)(=O)O

InChI

InChI=1S/C7H5NO3S.C7H9N/c8-5-6-1-3-7(4-2-6)12(9,10)11;1-6-2-4-7(8)5-3-6/h1-4H,(H,9,10,11);2-5H,8H2,1H3