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

Systemtic Name: [methoxycarbonylsulfanyl-methyl-(4-nitrophenyl)azaniumyl]methanoate Openeye Name: [methoxycarbonylsulfanyl-methyl-(4-nitrophenyl)ammonio]formate CAS Name: [(methoxycarbonylthio)-methyl-(4-nitrophenyl)ammonio]formate IUPAC Name: [methoxycarbonylsulfanyl-methyl-(4-nitrophenyl)azaniumyl]formate Traditional Name: [(carbomethoxythio)-methyl-(4-nitrophenyl)ammonio]formate Formula: C10H10N2O6S MolecularWeight: 286.2612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N2O6S/c1-12(9(13)14,19-10(15)18-2)8-5-3-7(4-6-8)11(16)17/h3-6H,1-2H3