[phosphono-[[5-(3-sulfanylpropyl)pyridin-2-yl]amino]methyl]phosphonic acid

Systemtic Name: [phosphono-[[5-(3-sulfanylpropyl)pyridin-2-yl]amino]methyl]phosphonic acid Openeye Name: [phosphono-[[5-(3-sulfanylpropyl)-2-pyridyl]amino]methyl]phosphonic acid CAS Name: [[[5-(3-mercaptopropyl)-2-pyridinyl]amino]-phosphonomethyl]phosphonic acid IUPAC Name: [phosphono-[[5-(3-sulfanylpropyl)pyridin-2-yl]amino]methyl]phosphonic acid Traditional Name: [[[5-(3-mercaptopropyl)-2-pyridyl]amino]-phosphono-methyl]phosphonic acid Formula: C9H16N2O6P2S MolecularWeight: 342.245662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1CCCS)NC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC(=NC=C1CCCS)NC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H16N2O6P2S/c12-18(13,14)9(19(15,16)17)11-8-4-3-7(6-10-8)2-1-5-20/h3-4,6,9,20H,1-2,5H2,(H,10,11)(H2,12,13,14)(H2,15,16,17)