[1-oxidanyl-1-phosphono-2-(2-pyridin-2-ylethylsulfanyl)ethyl]phosphonic acid

Systemtic Name: [1-oxidanyl-1-phosphono-2-(2-pyridin-2-ylethylsulfanyl)ethyl]phosphonic acid Openeye Name: [1-hydroxy-1-phosphono-2-[2-(2-pyridyl)ethylsulfanyl]ethyl]phosphonic acid CAS Name: [1-hydroxy-1-phosphono-2-[2-(2-pyridinyl)ethylthio]ethyl]phosphonic acid IUPAC Name: [1-hydroxy-1-phosphono-2-(2-pyridin-2-ylethylsulfanyl)ethyl]phosphonic acid Traditional Name: [1-hydroxy-1-phosphono-2-[2-(2-pyridyl)ethylthio]ethyl]phosphonic acid Formula: C9H15NO7P2S MolecularWeight: 343.230422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCSCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=NC(=C1)CCSCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H15NO7P2S/c11-9(18(12,13)14,19(15,16)17)7-20-6-4-8-3-1-2-5-10-8/h1-3,5,11H,4,6-7H2,(H2,12,13,14)(H2,15,16,17)