(Z)-2-diazonio-1-ethoxy-3-oxidanylidene-4-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]but-1-en-1-olate

Systemtic Name: (Z)-2-diazonio-1-ethoxy-3-oxidanylidene-4-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]but-1-en-1-olate Openeye Name: (Z)-2-diazonio-1-ethoxy-3-oxo-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)but-1-en-1-olate CAS Name: (Z)-2-diazonio-1-ethoxy-3-oxo-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)-1-buten-1-olate IUPAC Name: (Z)-2-diazonio-1-ethoxy-3-oxo-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)but-1-en-1-olate Traditional Name: (Z)-2-diazonio-1-ethoxy-3-keto-4-(1,1,3-triketo-1,2-benzothiazol-2-yl)but-1-en-1-olate Formula: C13H11N3O6S MolecularWeight: 337.30794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O)[N+]#N)[O-]

Isomeric SMILES

CCO/C(=C(/C(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O)\[N+]#N)/[O-]

InChI

InChI=1S/C13H11N3O6S/c1-2-22-13(19)11(15-14)9(17)7-16-12(18)8-5-3-4-6-10(8)23(16,20)21/h3-6H,2,7H2,1H3