[(Z)-1-[2-(5-oxidanylidene-2H-1,2,3-oxadiazol-3-ium-3-yl)phenyl]ethylideneamino] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-1-[2-(5-oxidanylidene-2H-1,2,3-oxadiazol-3-ium-3-yl)phenyl]ethylideneamino] 4-methylbenzenesulfonate Openeye Name: [(Z)-1-[2-(5-oxo-2H-oxadiazol-3-ium-3-yl)phenyl]ethylideneamino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-1-[2-(5-oxo-2H-oxadiazol-3-ium-3-yl)phenyl]ethylideneamino] ester IUPAC Name: [(Z)-1-[2-(5-oxo-2H-oxadiazol-3-ium-3-yl)phenyl]ethylideneamino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-1-[2-(5-keto-2H-oxadiazol-3-ium-3-yl)phenyl]ethylideneamino] ester Formula: C17H16N3O5S+ MolecularWeight: 374.39104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C(C)C2=CC=CC=C2[N+]3=CC(=O)ON3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C(/C)\C2=CC=CC=C2[N+]3=CC(=O)ON3

InChI

InChI=1S/C17H15N3O5S/c1-12-7-9-14(10-8-12)26(22,23)25-18-13(2)15-5-3-4-6-16(15)20-11-17(21)24-19-20/h3-11H,1-2H3/p+1/b18-13-