(2-ethanoylsulfanyl-1-phosphono-ethyl)phosphonic acid; sodium

Systemtic Name: (2-ethanoylsulfanyl-1-phosphono-ethyl)phosphonic acid; sodium Openeye Name: (2-acetylsulfanyl-1-phosphono-ethyl)phosphonic acid; sodium CAS Name: [2-(acetylthio)-1-phosphonoethyl]phosphonic acid; sodium IUPAC Name: (2-acetylsulfanyl-1-phosphonoethyl)phosphonic acid; sodium Traditional Name: [2-(acetylthio)-1-phosphono-ethyl]phosphonic acid; sodium Formula: C4H10NaO7P2S MolecularWeight: 287.120292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(P(=O)(O)O)P(=O)(O)O.[Na]

Isomeric SMILES

CC(=O)SCC(P(=O)(O)O)P(=O)(O)O.[Na]

InChI

InChI=1S/C4H10O7P2S.Na/c1-3(5)14-2-4(12(6,7)8)13(9,10)11;/h4H,2H2,1H3,(H2,6,7,8)(H2,9,10,11);