carboxy-methoxycarbonylsulfanyl-methyl-(4-nitrophenyl)azanium

Systemtic Name: carboxy-methoxycarbonylsulfanyl-methyl-(4-nitrophenyl)azanium Openeye Name: carboxy-methoxycarbonylsulfanyl-methyl-(4-nitrophenyl)ammonium CAS Name: carboxy-(methoxycarbonylthio)-methyl-(4-nitrophenyl)ammonium IUPAC Name: carboxy-methoxycarbonylsulfanyl-methyl-(4-nitrophenyl)azanium Traditional Name: (carbomethoxythio)-carboxy-methyl-(4-nitrophenyl)ammonium Formula: C10H11N2O6S+ MolecularWeight: 287.26914

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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/p+1