carboxy-methoxycarbonylsulfanyl-methyl-(2-prop-2-enoxyphenyl)azanium

Systemtic Name: carboxy-methoxycarbonylsulfanyl-methyl-(2-prop-2-enoxyphenyl)azanium Openeye Name: (2-allyloxyphenyl)-carboxy-methoxycarbonylsulfanyl-methyl-ammonium CAS Name: carboxy-(methoxycarbonylthio)-methyl-(2-prop-2-enoxyphenyl)ammonium IUPAC Name: carboxy-methoxycarbonylsulfanyl-methyl-(2-prop-2-enoxyphenyl)azanium Traditional Name: (2-allyloxyphenyl)-(carbomethoxythio)-carboxy-methyl-ammonium Formula: C13H16NO5S+ MolecularWeight: 298.33484

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C1=CC=CC=C1OCC=C)(C(=O)O)SC(=O)OC

Isomeric SMILES

C[N+](C1=CC=CC=C1OCC=C)(C(=O)O)SC(=O)OC

InChI

InChI=1S/C13H15NO5S/c1-4-9-19-11-8-6-5-7-10(11)14(2,12(15)16)20-13(17)18-3/h4-8H,1,9H2,2-3H3/p+1