[6-phosphono-3-(2-sulfanylethyl)-1,2-dihydrocyclopenta[b]pyridin-6-yl]phosphonic acid

Systemtic Name: [6-phosphono-3-(2-sulfanylethyl)-1,2-dihydrocyclopenta[b]pyridin-6-yl]phosphonic acid Openeye Name: [6-phosphono-3-(2-sulfanylethyl)-1,2-dihydrocyclopenta[b]pyridin-6-yl]phosphonic acid CAS Name: [3-(2-mercaptoethyl)-6-phosphono-1,2-dihydrocyclopenta[b]pyridin-6-yl]phosphonic acid IUPAC Name: [6-phosphono-3-(2-sulfanylethyl)-1,2-dihydrocyclopenta[b]pyridin-6-yl]phosphonic acid Traditional Name: [3-(2-mercaptoethyl)-6-phosphono-1,2-dihydro-1-pyrindin-6-yl]phosphonic acid Formula: C10H15NO6P2S MolecularWeight: 339.241722

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=CC(C=C2N1)(P(=O)(O)O)P(=O)(O)O)CCS

Isomeric SMILES

C1C(=CC2=CC(C=C2N1)(P(=O)(O)O)P(=O)(O)O)CCS

InChI

InChI=1S/C10H15NO6P2S/c12-18(13,14)10(19(15,16)17)4-8-3-7(1-2-20)6-11-9(8)5-10/h3-5,11,20H,1-2,6H2,(H2,12,13,14)(H2,15,16,17)