(6-chloranylbenzotriazol-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (6-chloranylbenzotriazol-1-yl) 4-methylbenzenesulfonate Openeye Name: (6-chlorobenzotriazol-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-chloro-1-benzotriazolyl) ester IUPAC Name: (6-chlorobenzotriazol-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-chlorobenzotriazol-1-yl) ester Formula: C13H10ClN3O3S MolecularWeight: 323.7548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C3=C(C=CC(=C3)Cl)N=N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C3=C(C=CC(=C3)Cl)N=N2

InChI

InChI=1S/C13H10ClN3O3S/c1-9-2-5-11(6-3-9)21(18,19)20-17-13-8-10(14)4-7-12(13)15-16-17/h2-8H,1H3