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trisodium 1,1-diphosphonato-6-pyridin-2-ylsulfanyl-hexan-1-ol

trisodium 1,1-diphosphonato-6-pyridin-2-ylsulfanyl-hexan-1-ol

Systemtic Name:trisodium 1,1-diphosphonato-6-pyridin-2-ylsulfanyl-hexan-1-ol
Openeye Name:trisodium 1,1-diphosphonato-6-(2-pyridylsulfanyl)hexan-1-ol
CAS Name:trisodium 1,1-diphosphonato-6-(2-pyridinylthio)-1-hexanol
IUPAC Name:trisodium 1,1-diphosphonato-6-pyridin-2-ylsulfanylhexan-1-ol
Traditional Name:trisodium 1,1-diphosphonato-6-(2-pyridylthio)hexan-1-ol
Formula: C11H15NNa3O7P2S-
MolecularWeight: 436.221132
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCCCCCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+]


Isomeric SMILES

C1=CC=NC(=C1)SCCCCCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+]


InChI

InChI=1S/C11H19NO7P2S.3Na/c13-11(20(14,15)16,21(17,18)19)7-3-1-5-9-22-10-6-2-4-8-12-10;;;/h2,4,6,8,13H,1,3,5,7,9H2,(H2,14,15,16)(H2,17,18,19);;;/q;3*+1/p-4


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