[3-[methyl(phenethyl)sulfonio]-1-oxidanyl-1-phosphono-propyl]-oxidanyl-phosphinate

Systemtic Name: [3-[methyl(phenethyl)sulfonio]-1-oxidanyl-1-phosphono-propyl]-oxidanyl-phosphinate Openeye Name: hydroxy-[1-hydroxy-3-[methyl(phenethyl)sulfonio]-1-phosphono-propyl]phosphinate CAS Name: hydroxy-[1-hydroxy-3-[methyl(phenethyl)sulfonio]-1-phosphonopropyl]phosphinate IUPAC Name: hydroxy-[1-hydroxy-3-[methyl(phenethyl)sulfonio]-1-phosphonopropyl]phosphinate Traditional Name: hydroxy-[1-hydroxy-3-[methyl(phenethyl)sulfonio]-1-phosphono-propyl]phosphinate Formula: C12H20O7P2S MolecularWeight: 370.295522

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](CCC1=CC=CC=C1)CCC(O)(P(=O)(O)O)P(=O)(O)[O-]

Isomeric SMILES

C[S+](CCC1=CC=CC=C1)CCC(O)(P(=O)(O)O)P(=O)(O)[O-]

InChI

InChI=1S/C12H20O7P2S/c1-22(9-7-11-5-3-2-4-6-11)10-8-12(13,20(14,15)16)21(17,18)19/h2-6,13H,7-10H2,1H3,(H3-,14,15,16,17,18,19)