[phosphono(pyridin-1-ium-2-ylsulfanyl)methyl]phosphonic acid

Systemtic Name: [phosphono(pyridin-1-ium-2-ylsulfanyl)methyl]phosphonic acid Openeye Name: [phosphono(pyridin-1-ium-2-ylsulfanyl)methyl]phosphonic acid CAS Name: [phosphono-(2-pyridin-1-iumylthio)methyl]phosphonic acid IUPAC Name: [phosphono(pyridin-1-ium-2-ylsulfanyl)methyl]phosphonic acid Traditional Name: [phosphono-(pyridin-1-ium-2-ylthio)methyl]phosphonic acid Formula: C6H10NO6P2S+ MolecularWeight: 286.159222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)SC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=[NH+]C(=C1)SC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H9NO6P2S/c8-14(9,10)6(15(11,12)13)16-5-3-1-2-4-7-5/h1-4,6H,(H2,8,9,10)(H2,11,12,13)/p+1