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

Systemtic Name: 2-oxidanyl-2-phosphono-3-[1-(2-sulfanylideneethyl)pyridin-1-ium-2-yl]propanoic acid Openeye Name: 2-hydroxy-2-phosphono-3-[1-(2-thioxoethyl)pyridin-1-ium-2-yl]propanoic acid CAS Name: 2-hydroxy-2-phosphono-3-[1-(2-sulfanylideneethyl)-2-pyridin-1-iumyl]propanoic acid IUPAC Name: 2-hydroxy-2-phosphono-3-[1-(2-sulfanylideneethyl)pyridin-1-ium-2-yl]propanoic acid Traditional Name: 2-hydroxy-2-phosphono-3-[1-(2-thioxoethyl)pyridin-1-ium-2-yl]propionic acid Formula: C10H13NO6PS+ MolecularWeight: 306.252081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12NO6PS/c12-9(13)10(14,18(15,16)17)7-8-3-1-2-4-11(8)5-6-19/h1-4,6,14H,5,7H2,(H2-,12,13,15,16,17)/p+1