[phosphono-(4-pyridin-2-ylsulfanylbutylamino)methyl]phosphonic acid

Systemtic Name: [phosphono-(4-pyridin-2-ylsulfanylbutylamino)methyl]phosphonic acid Openeye Name: [phosphono-[4-(2-pyridylsulfanyl)butylamino]methyl]phosphonic acid CAS Name: [phosphono-[4-(2-pyridinylthio)butylamino]methyl]phosphonic acid IUPAC Name: [phosphono-(4-pyridin-2-ylsulfanylbutylamino)methyl]phosphonic acid Traditional Name: [phosphono-[4-(2-pyridylthio)butylamino]methyl]phosphonic acid Formula: C10H18N2O6P2S MolecularWeight: 356.272242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18N2O6P2S/c13-19(14,15)10(20(16,17)18)12-7-3-4-8-21-9-5-1-2-6-11-9/h1-2,5-6,10,12H,3-4,7-8H2,(H2,13,14,15)(H2,16,17,18)