7-hexoxy-1-oxidanidyl-2H-1,2,4-benzotriazin-1-ium-3-one

Systemtic Name: 7-hexoxy-1-oxidanidyl-2H-1,2,4-benzotriazin-1-ium-3-one Openeye Name: 7-hexoxy-1-oxido-2H-1,2,4-benzotriazin-1-ium-3-one CAS Name: 7-hexoxy-1-oxido-2H-1,2,4-benzotriazin-1-ium-3-one IUPAC Name: 7-hexoxy-1-oxido-2H-1,2,4-benzotriazin-1-ium-3-one Traditional Name: 7-hexoxy-1-oxido-2H-1,2,4-benzotriazin-1-ium-3-one Formula: C13H17N3O3 MolecularWeight: 263.29238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC2=[N+](NC(=O)N=C2C=C1)[O-]

Isomeric SMILES

CCCCCCOC1=CC2=[N+](NC(=O)N=C2C=C1)[O-]

InChI

InChI=1S/C13H17N3O3/c1-2-3-4-5-8-19-10-6-7-11-12(9-10)16(18)15-13(17)14-11/h6-7,9H,2-5,8H2,1H3,(H,14,15,17)