4-nitro-7-[1-(phenylsulfonyl)propyl]-2H-benzotriazole

Systemtic Name: 4-nitro-7-[1-(phenylsulfonyl)propyl]-2H-benzotriazole Openeye Name: 4-[1-(benzenesulfonyl)propyl]-7-nitro-2H-benzotriazole CAS Name: 4-[1-(benzenesulfonyl)propyl]-7-nitro-2H-benzotriazole IUPAC Name: 4-[1-(benzenesulfonyl)propyl]-7-nitro-2H-benzotriazole Traditional Name: 4-(1-besylpropyl)-7-nitro-2H-benzotriazole Formula: C15H14N4O4S MolecularWeight: 346.36106

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C2=NNN=C12)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(C1=CC=C(C2=NNN=C12)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C15H14N4O4S/c1-2-13(24(22,23)10-6-4-3-5-7-10)11-8-9-12(19(20)21)15-14(11)16-18-17-15/h3-9,13H,2H2,1H3,(H,16,17,18)