[2-(3-octylpyridin-1-ium-1-yl)-1-oxidanyl-1-phosphono-ethyl]-oxidanyl-phosphinate

Systemtic Name: [2-(3-octylpyridin-1-ium-1-yl)-1-oxidanyl-1-phosphono-ethyl]-oxidanyl-phosphinate Openeye Name: hydroxy-[1-hydroxy-2-(3-octylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphinate CAS Name: hydroxy-[1-hydroxy-2-(3-octyl-1-pyridin-1-iumyl)-1-phosphonoethyl]phosphinate IUPAC Name: hydroxy-[1-hydroxy-2-(3-octylpyridin-1-ium-1-yl)-1-phosphonoethyl]phosphinate Traditional Name: hydroxy-[1-hydroxy-2-(3-octylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphinate Formula: C15H27NO7P2 MolecularWeight: 395.324902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C[N+](=CC=C1)CC(O)(P(=O)(O)O)P(=O)(O)[O-]

Isomeric SMILES

CCCCCCCCC1=C[N+](=CC=C1)CC(O)(P(=O)(O)O)P(=O)(O)[O-]

InChI

InChI=1S/C15H27NO7P2/c1-2-3-4-5-6-7-9-14-10-8-11-16(12-14)13-15(17,24(18,19)20)25(21,22)23/h8,10-12,17H,2-7,9,13H2,1H3,(H3-,18,19,20,21,22,23)