2-phosphono-2-pyridin-2-ylsulfanyl-ethanoic acid

Systemtic Name: 2-phosphono-2-pyridin-2-ylsulfanyl-ethanoic acid Openeye Name: 2-phosphono-2-(2-pyridylsulfanyl)acetic acid CAS Name: 2-phosphono-2-(2-pyridinylthio)acetic acid IUPAC Name: 2-phosphono-2-pyridin-2-ylsulfanylacetic acid Traditional Name: 2-phosphono-2-(2-pyridylthio)acetic acid Formula: C7H8NO5PS MolecularWeight: 249.180881

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SC(C(=O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=NC(=C1)SC(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C7H8NO5PS/c9-6(10)7(14(11,12)13)15-5-3-1-2-4-8-5/h1-4,7H,(H,9,10)(H2,11,12,13)