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

Systemtic Name: [2-(3-oct-1-ynylpyridin-1-ium-1-yl)-1-phosphono-ethyl]-oxidanyl-phosphinate Openeye Name: hydroxy-[2-(3-oct-1-ynylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphinate CAS Name: hydroxy-[2-(3-oct-1-ynyl-1-pyridin-1-iumyl)-1-phosphonoethyl]phosphinate IUPAC Name: hydroxy-[2-(3-oct-1-ynylpyridin-1-ium-1-yl)-1-phosphonoethyl]phosphinate Traditional Name: hydroxy-[2-(3-oct-1-ynylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphinate Formula: C15H23NO6P2 MolecularWeight: 375.293742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=C[N+](=CC=C1)CC(P(=O)(O)O)P(=O)(O)[O-]

Isomeric SMILES

CCCCCCC#CC1=C[N+](=CC=C1)CC(P(=O)(O)O)P(=O)(O)[O-]

InChI

InChI=1S/C15H23NO6P2/c1-2-3-4-5-6-7-9-14-10-8-11-16(12-14)13-15(23(17,18)19)24(20,21)22/h8,10-12,15H,2-6,13H2,1H3,(H3-,17,18,19,20,21,22)