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

Systemtic Name: [2-(3-hexylpyridin-1-ium-1-yl)-1-phosphono-ethyl]-oxidanyl-phosphinate Openeye Name: [2-(3-hexylpyridin-1-ium-1-yl)-1-phosphono-ethyl]-hydroxy-phosphinate CAS Name: [2-(3-hexyl-1-pyridin-1-iumyl)-1-phosphonoethyl]-hydroxyphosphinate IUPAC Name: [2-(3-hexylpyridin-1-ium-1-yl)-1-phosphonoethyl]-hydroxyphosphinate Traditional Name: [2-(3-hexylpyridin-1-ium-1-yl)-1-phosphono-ethyl]-hydroxy-phosphinate Formula: C13H23NO6P2 MolecularWeight: 351.272342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C[N+](=CC=C1)CC(P(=O)(O)O)P(=O)(O)[O-]

Isomeric SMILES

CCCCCCC1=C[N+](=CC=C1)CC(P(=O)(O)O)P(=O)(O)[O-]

InChI

InChI=1S/C13H23NO6P2/c1-2-3-4-5-7-12-8-6-9-14(10-12)11-13(21(15,16)17)22(18,19)20/h6,8-10,13H,2-5,7,11H2,1H3,(H3-,15,16,17,18,19,20)