[2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-(4-nitrophenoxy)benzenesulfonate

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-(4-nitrophenoxy)benzenesulfonate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-(4-nitrophenoxy)benzenesulfonate CAS Name: 4-(4-nitrophenoxy)benzenesulfonic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 4-(4-nitrophenoxy)benzenesulfonate Traditional Name: 4-(4-nitrophenoxy)benzenesulfonic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C25H18N4O6S MolecularWeight: 502.49862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-])N4N=C5C=CC=CC5=N4

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-])N4N=C5C=CC=CC5=N4

InChI

InChI=1S/C25H18N4O6S/c1-17-6-15-25(24(16-17)28-26-22-4-2-3-5-23(22)27-28)35-36(32,33)21-13-11-20(12-14-21)34-19-9-7-18(8-10-19)29(30)31/h2-16H,1H3