octyl 3-[(6-nitro-4-oxidanylidene-1,2,3-benzotriazin-3-yl)sulfonyl]benzoate

Systemtic Name: octyl 3-[(6-nitro-4-oxidanylidene-1,2,3-benzotriazin-3-yl)sulfonyl]benzoate Openeye Name: octyl 3-[(6-nitro-4-oxo-1,2,3-benzotriazin-3-yl)sulfonyl]benzoate CAS Name: 3-[(6-nitro-4-oxo-1,2,3-benzotriazin-3-yl)sulfonyl]benzoic acid octyl ester IUPAC Name: octyl 3-[(6-nitro-4-oxo-1,2,3-benzotriazin-3-yl)sulfonyl]benzoate Traditional Name: 3-[(4-keto-6-nitro-1,2,3-benzotriazin-3-yl)sulfonyl]benzoic acid octyl ester Formula: C22H24N4O7S MolecularWeight: 488.51356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC(=CC=C1)S(=O)(=O)N2C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N=N2

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC(=CC=C1)S(=O)(=O)N2C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N=N2

InChI

InChI=1S/C22H24N4O7S/c1-2-3-4-5-6-7-13-33-22(28)16-9-8-10-18(14-16)34(31,32)25-21(27)19-15-17(26(29)30)11-12-20(19)23-24-25/h8-12,14-15H,2-7,13H2,1H3