[(2-acetyloxyphenyl)-bis(methylsulfanyl)azaniumyl]methanoate

Systemtic Name: [(2-acetyloxyphenyl)-bis(methylsulfanyl)azaniumyl]methanoate Openeye Name: [(2-acetoxyphenyl)-bis(methylsulfanyl)ammonio]formate CAS Name: [(2-acetyloxyphenyl)-bis(methylthio)ammonio]formate IUPAC Name: [(2-acetyloxyphenyl)-bis(methylsulfanyl)azaniumyl]formate Traditional Name: [(2-acetoxyphenyl)-bis(methylthio)ammonio]formate Formula: C11H13NO4S2 MolecularWeight: 287.35522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1[N+](C(=O)[O-])(SC)SC

Isomeric SMILES

CC(=O)OC1=CC=CC=C1[N+](C(=O)[O-])(SC)SC

InChI

InChI=1S/C11H13NO4S2/c1-8(13)16-10-7-5-4-6-9(10)12(17-2,18-3)11(14)15/h4-7H,1-3H3