[1-oxidanyl-1-phosphono-3-(thian-1-ium-1-yl)propyl]phosphonic acid

Systemtic Name: [1-oxidanyl-1-phosphono-3-(thian-1-ium-1-yl)propyl]phosphonic acid Openeye Name: (1-hydroxy-1-phosphono-3-tetrahydrothiopyran-1-ium-1-yl-propyl)phosphonic acid CAS Name: [1-hydroxy-1-phosphono-3-(1-thian-1-iumyl)propyl]phosphonic acid IUPAC Name: [1-hydroxy-1-phosphono-3-(thian-1-ium-1-yl)propyl]phosphonic acid Traditional Name: (1-hydroxy-1-phosphono-3-tetrahydrothiopyran-1-ium-1-yl-propyl)phosphonic acid Formula: C8H19O7P2S+ MolecularWeight: 321.244782

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[S+](CC1)CCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1CC[S+](CC1)CCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C8H18O7P2S/c9-8(16(10,11)12,17(13,14)15)4-7-18-5-2-1-3-6-18/h9H,1-7H2,(H3-,10,11,12,13,14,15)/p+1