[2-(1H-imidazol-2-ylsulfanyl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(1H-imidazol-2-ylsulfanyl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(1H-imidazol-2-ylsulfanyl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(1H-imidazol-2-ylthio)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(1H-imidazol-2-ylsulfanyl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(1H-imidazol-2-ylthio)-1-phosphono-ethyl]phosphonic acid Formula: C5H10N2O6P2S MolecularWeight: 288.155222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N1)SCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CN=C(N1)SCC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C5H10N2O6P2S/c8-14(9,10)4(15(11,12)13)3-16-5-6-1-2-7-5/h1-2,4H,3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)