4-methylbenzenesulfonic acid; 3-(4-methylphenyl)-1,2,3-thiadiazol-3-ium-4-ol

Systemtic Name: 4-methylbenzenesulfonic acid; 3-(4-methylphenyl)-1,2,3-thiadiazol-3-ium-4-ol Openeye Name: 4-methylbenzenesulfonic acid; 3-(p-tolyl)thiadiazol-3-ium-4-ol CAS Name: 4-methylbenzenesulfonic acid; 3-(4-methylphenyl)-4-thiadiazol-3-iumol IUPAC Name: 4-methylbenzenesulfonic acid; 3-(4-methylphenyl)thiadiazol-3-ium-4-ol Traditional Name: 3-(p-tolyl)thiadiazol-3-ium-4-ol; tosylic acid Formula: C16H17N2O4S2+ MolecularWeight: 365.44718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=NSC=C2O.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=NSC=C2O.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C9H8N2OS.C7H8O3S/c1-7-2-4-8(5-3-7)11-9(12)6-13-10-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-6H,1H3;2-5H,1H3,(H,8,9,10)/p+1