7-methoxy-3-methylsulfonyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium

Systemtic Name: 7-methoxy-3-methylsulfonyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium Openeye Name: 7-methoxy-3-methylsulfonyl-1-oxido-1,2,4-benzotriazin-1-ium CAS Name: 7-methoxy-3-methylsulfonyl-1-oxido-1,2,4-benzotriazin-1-ium IUPAC Name: 7-methoxy-3-methylsulfonyl-1-oxido-1,2,4-benzotriazin-1-ium Traditional Name: 3-mesyl-7-methoxy-1-oxido-1,2,4-benzotriazin-1-ium Formula: C9H9N3O4S MolecularWeight: 255.25046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N=[N+]2[O-])S(=O)(=O)C

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N=[N+]2[O-])S(=O)(=O)C

InChI

InChI=1S/C9H9N3O4S/c1-16-6-3-4-7-8(5-6)12(13)11-9(10-7)17(2,14)15/h3-5H,1-2H3