[4-[(4-cyano-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl)methylsulfanyl]phenyl]carbonyloxymethyl 2-acetyloxybenzoate

Systemtic Name: [4-[(4-cyano-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl)methylsulfanyl]phenyl]carbonyloxymethyl 2-acetyloxybenzoate Openeye Name: [4-[(4-cyano-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methylsulfanyl]benzoyl]oxymethyl 2-acetoxybenzoate CAS Name: 2-acetyloxybenzoic acid [[4-[(4-cyano-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methylthio]phenyl]-oxomethoxy]methyl ester IUPAC Name: [4-[(4-cyano-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methylsulfanyl]benzoyl]oxymethyl 2-acetyloxybenzoate Traditional Name: 2-acetoxybenzoic acid [4-[(4-cyano-5-oxido-furazan-5-ium-3-yl)methylthio]benzoyl]oxymethyl ester Formula: C21H15N3O8S MolecularWeight: 469.4241

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)OCOC(=O)C2=CC=C(C=C2)SCC3=NO[N+](=C3C#N)[O-]

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)OCOC(=O)C2=CC=C(C=C2)SCC3=NO[N+](=C3C#N)[O-]

InChI

InChI=1S/C21H15N3O8S/c1-13(25)31-19-5-3-2-4-16(19)21(27)30-12-29-20(26)14-6-8-15(9-7-14)33-11-17-18(10-22)24(28)32-23-17/h2-9H,11-12H2,1H3