(3-ethanoylsulfanyl-1-oxidanyl-1-phosphono-butyl)phosphonic acid

Systemtic Name: (3-ethanoylsulfanyl-1-oxidanyl-1-phosphono-butyl)phosphonic acid Openeye Name: (3-acetylsulfanyl-1-hydroxy-1-phosphono-butyl)phosphonic acid CAS Name: [3-(acetylthio)-1-hydroxy-1-phosphonobutyl]phosphonic acid IUPAC Name: (3-acetylsulfanyl-1-hydroxy-1-phosphonobutyl)phosphonic acid Traditional Name: [3-(acetylthio)-1-hydroxy-1-phosphono-butyl]phosphonic acid Formula: C6H14O8P2S MolecularWeight: 308.183082

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(O)(P(=O)(O)O)P(=O)(O)O)SC(=O)C

Isomeric SMILES

CC(CC(O)(P(=O)(O)O)P(=O)(O)O)SC(=O)C

InChI

InChI=1S/C6H14O8P2S/c1-4(17-5(2)7)3-6(8,15(9,10)11)16(12,13)14/h4,8H,3H2,1-2H3,(H2,9,10,11)(H2,12,13,14)