carboxy-methoxycarbonylsulfanyl-(2-methoxy-4-methyl-phenyl)-methyl-azanium

Systemtic Name: carboxy-methoxycarbonylsulfanyl-(2-methoxy-4-methyl-phenyl)-methyl-azanium Openeye Name: carboxy-methoxycarbonylsulfanyl-(2-methoxy-4-methyl-phenyl)-methyl-ammonium CAS Name: carboxy-(methoxycarbonylthio)-(2-methoxy-4-methylphenyl)-methylammonium IUPAC Name: carboxy-methoxycarbonylsulfanyl-(2-methoxy-4-methylphenyl)-methylazanium Traditional Name: (carbomethoxythio)-carboxy-(2-methoxy-4-methyl-phenyl)-methyl-ammonium Formula: C12H16NO5S+ MolecularWeight: 286.32414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](C)(C(=O)O)SC(=O)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](C)(C(=O)O)SC(=O)OC)OC

InChI

InChI=1S/C12H15NO5S/c1-8-5-6-9(10(7-8)17-3)13(2,11(14)15)19-12(16)18-4/h5-7H,1-4H3/p+1