[1-phosphono-1-(4-pyridin-2-ylsulfanylbutylamino)ethyl]phosphonic acid

Systemtic Name: [1-phosphono-1-(4-pyridin-2-ylsulfanylbutylamino)ethyl]phosphonic acid Openeye Name: [1-phosphono-1-[4-(2-pyridylsulfanyl)butylamino]ethyl]phosphonic acid CAS Name: [1-phosphono-1-[4-(2-pyridinylthio)butylamino]ethyl]phosphonic acid IUPAC Name: [1-phosphono-1-(4-pyridin-2-ylsulfanylbutylamino)ethyl]phosphonic acid Traditional Name: [1-phosphono-1-[4-(2-pyridylthio)butylamino]ethyl]phosphonic acid Formula: C11H20N2O6P2S MolecularWeight: 370.298822

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Descriptors Computed from Structure

Canonical SMILES:

CC(NCCCCSC1=CC=CC=N1)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(NCCCCSC1=CC=CC=N1)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C11H20N2O6P2S/c1-11(20(14,15)16,21(17,18)19)13-8-4-5-9-22-10-6-2-3-7-12-10/h2-3,6-7,13H,4-5,8-9H2,1H3,(H2,14,15,16)(H2,17,18,19)