[2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-nitrobenzenesulfonate

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-nitrobenzenesulfonate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C19H14N4O5S MolecularWeight: 410.40326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3N=C4C=CC=CC4=N3

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3N=C4C=CC=CC4=N3

InChI

InChI=1S/C19H14N4O5S/c1-13-6-11-19(18(12-13)22-20-16-4-2-3-5-17(16)21-22)28-29(26,27)15-9-7-14(8-10-15)23(24)25/h2-12H,1H3