2-phosphono-3-[1-(2-sulfanylideneethyl)pyridin-1-ium-3-yl]propanoic acid

Systemtic Name: 2-phosphono-3-[1-(2-sulfanylideneethyl)pyridin-1-ium-3-yl]propanoic acid Openeye Name: 2-phosphono-3-[1-(2-thioxoethyl)pyridin-1-ium-3-yl]propanoic acid CAS Name: 2-phosphono-3-[1-(2-sulfanylideneethyl)-3-pyridin-1-iumyl]propanoic acid IUPAC Name: 2-phosphono-3-[1-(2-sulfanylideneethyl)pyridin-1-ium-3-yl]propanoic acid Traditional Name: 2-phosphono-3-[1-(2-thioxoethyl)pyridin-1-ium-3-yl]propionic acid Formula: C10H13NO5PS+ MolecularWeight: 290.252681

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC=S)CC(C(=O)O)P(=O)(O)O

Isomeric SMILES

C1=CC(=C[N+](=C1)CC=S)CC(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C10H12NO5PS/c12-10(13)9(17(14,15)16)6-8-2-1-3-11(7-8)4-5-18/h1-3,5,7,9H,4,6H2,(H2-,12,13,14,15,16)/p+1