(1-phosphono-5-pyridin-2-ylsulfanyl-pentyl)phosphonic acid

Systemtic Name: (1-phosphono-5-pyridin-2-ylsulfanyl-pentyl)phosphonic acid Openeye Name: [1-phosphono-5-(2-pyridylsulfanyl)pentyl]phosphonic acid CAS Name: [1-phosphono-5-(2-pyridinylthio)pentyl]phosphonic acid IUPAC Name: (1-phosphono-5-pyridin-2-ylsulfanylpentyl)phosphonic acid Traditional Name: [1-phosphono-5-(2-pyridylthio)pentyl]phosphonic acid Formula: C10H17NO6P2S MolecularWeight: 341.257602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H17NO6P2S/c12-18(13,14)10(19(15,16)17)6-2-4-8-20-9-5-1-3-7-11-9/h1,3,5,7,10H,2,4,6,8H2,(H2,12,13,14)(H2,15,16,17)