(Z)-1-ethoxy-1-oxidanyl-3-oxidanylidene-4-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]but-1-ene-2-diazonium

Systemtic Name: (Z)-1-ethoxy-1-oxidanyl-3-oxidanylidene-4-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]but-1-ene-2-diazonium Openeye Name: (Z)-1-ethoxy-1-hydroxy-3-oxo-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)but-1-ene-2-diazonium CAS Name: (Z)-1-ethoxy-1-hydroxy-3-oxo-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)-1-butene-2-diazonium IUPAC Name: (Z)-1-ethoxy-1-hydroxy-3-oxo-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)but-1-ene-2-diazonium Traditional Name: (Z)-1-ethoxy-1-hydroxy-3-keto-4-(1,1,3-triketo-1,2-benzothiazol-2-yl)but-1-ene-2-diazonium Formula: C13H12N3O6S+ MolecularWeight: 338.31588

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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/p+1