1-(4-methylsulfonyl-2-nitro-phenyl)benzotriazole

Systemtic Name: 1-(4-methylsulfonyl-2-nitro-phenyl)benzotriazole Openeye Name: 1-(4-methylsulfonyl-2-nitro-phenyl)benzotriazole CAS Name: 1-(4-methylsulfonyl-2-nitrophenyl)benzotriazole IUPAC Name: 1-(4-methylsulfonyl-2-nitrophenyl)benzotriazole Traditional Name: 1-(4-mesyl-2-nitro-phenyl)benzotriazole Formula: C13H10N4O4S MolecularWeight: 318.3079

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2C3=CC=CC=C3N=N2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2C3=CC=CC=C3N=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O4S/c1-22(20,21)9-6-7-12(13(8-9)17(18)19)16-11-5-3-2-4-10(11)14-15-16/h2-8H,1H3