[methoxycarbonylsulfanyl-methyl-(4-methylsulfanylphenyl)azaniumyl]methanoate

Systemtic Name: [methoxycarbonylsulfanyl-methyl-(4-methylsulfanylphenyl)azaniumyl]methanoate Openeye Name: [methoxycarbonylsulfanyl-methyl-(4-methylsulfanylphenyl)ammonio]formate CAS Name: [(methoxycarbonylthio)-methyl-[4-(methylthio)phenyl]ammonio]formate IUPAC Name: [methoxycarbonylsulfanyl-methyl-(4-methylsulfanylphenyl)azaniumyl]formate Traditional Name: [(carbomethoxythio)-methyl-[4-(methylthio)phenyl]ammonio]formate Formula: C11H13NO4S2 MolecularWeight: 287.35522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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