[2-[methyl(4-phenylbutyl)sulfonio]-1-phosphono-ethyl]-oxidanyl-phosphinate

Systemtic Name: [2-[methyl(4-phenylbutyl)sulfonio]-1-phosphono-ethyl]-oxidanyl-phosphinate Openeye Name: hydroxy-[2-[methyl(4-phenylbutyl)sulfonio]-1-phosphono-ethyl]phosphinate CAS Name: hydroxy-[2-[methyl(4-phenylbutyl)sulfonio]-1-phosphonoethyl]phosphinate IUPAC Name: hydroxy-[2-[methyl(4-phenylbutyl)sulfonio]-1-phosphonoethyl]phosphinate Traditional Name: hydroxy-[2-[methyl(4-phenylbutyl)sulfonio]-1-phosphono-ethyl]phosphinate Formula: C13H22O6P2S MolecularWeight: 368.322702

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](CCCCC1=CC=CC=C1)CC(P(=O)(O)O)P(=O)(O)[O-]

Isomeric SMILES

C[S+](CCCCC1=CC=CC=C1)CC(P(=O)(O)O)P(=O)(O)[O-]

InChI

InChI=1S/C13H22O6P2S/c1-22(11-13(20(14,15)16)21(17,18)19)10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3,(H3-,14,15,16,17,18,19)