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

Systemtic Name: (6-nitrobenzotriazol-1-yl) 4-methylbenzenesulfonate Openeye Name: (6-nitrobenzotriazol-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-nitro-1-benzotriazolyl) ester IUPAC Name: (6-nitrobenzotriazol-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-nitrobenzotriazol-1-yl) ester Formula: C13H10N4O5S MolecularWeight: 334.3073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C3=C(C=CC(=C3)[N+](=O)[O-])N=N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C3=C(C=CC(=C3)[N+](=O)[O-])N=N2

InChI

InChI=1S/C13H10N4O5S/c1-9-2-5-11(6-3-9)23(20,21)22-16-13-8-10(17(18)19)4-7-12(13)14-15-16/h2-8H,1H3