[2-[methyl(3-phenoxypropyl)sulfonio]-1-oxidanyl-1-phosphono-ethyl]-oxidanyl-phosphinate

Systemtic Name: [2-[methyl(3-phenoxypropyl)sulfonio]-1-oxidanyl-1-phosphono-ethyl]-oxidanyl-phosphinate Openeye Name: hydroxy-[1-hydroxy-2-[methyl(3-phenoxypropyl)sulfonio]-1-phosphono-ethyl]phosphinate CAS Name: hydroxy-[1-hydroxy-2-[methyl(3-phenoxypropyl)sulfonio]-1-phosphonoethyl]phosphinate IUPAC Name: hydroxy-[1-hydroxy-2-[methyl(3-phenoxypropyl)sulfonio]-1-phosphonoethyl]phosphinate Traditional Name: hydroxy-[1-hydroxy-2-[methyl(3-phenoxypropyl)sulfonio]-1-phosphono-ethyl]phosphinate Formula: C12H20O8P2S MolecularWeight: 386.294922

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](CCCOC1=CC=CC=C1)CC(O)(P(=O)(O)O)P(=O)(O)[O-]

Isomeric SMILES

C[S+](CCCOC1=CC=CC=C1)CC(O)(P(=O)(O)O)P(=O)(O)[O-]

InChI

InChI=1S/C12H20O8P2S/c1-23(9-5-8-20-11-6-3-2-4-7-11)10-12(13,21(14,15)16)22(17,18)19/h2-4,6-7,13H,5,8-10H2,1H3,(H3-,14,15,16,17,18,19)