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

Systemtic Name: carboxy-methoxycarbonylsulfanyl-methyl-(2-prop-2-ynoxyphenyl)azanium Openeye Name: carboxy-methoxycarbonylsulfanyl-methyl-(2-prop-2-ynoxyphenyl)ammonium CAS Name: carboxy-(methoxycarbonylthio)-methyl-(2-prop-2-ynoxyphenyl)ammonium IUPAC Name: carboxy-methoxycarbonylsulfanyl-methyl-(2-prop-2-ynoxyphenyl)azanium Traditional Name: (carbomethoxythio)-carboxy-methyl-(2-propargyloxyphenyl)ammonium Formula: C13H14NO5S+ MolecularWeight: 296.31896

Click to see the large picture

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/C13H13NO5S/c1-4-9-19-11-8-6-5-7-10(11)14(2,12(15)16)20-13(17)18-3/h1,5-8H,9H2,2-3H3/p+1