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

Systemtic Name: [2-(3-decoxypyridin-1-ium-1-yl)-1-phosphono-ethyl]-oxidanyl-phosphinate Openeye Name: [2-(3-decoxypyridin-1-ium-1-yl)-1-phosphono-ethyl]-hydroxy-phosphinate CAS Name: [2-(3-decoxy-1-pyridin-1-iumyl)-1-phosphonoethyl]-hydroxyphosphinate IUPAC Name: [2-(3-decoxypyridin-1-ium-1-yl)-1-phosphonoethyl]-hydroxyphosphinate Traditional Name: [2-(3-decoxypyridin-1-ium-1-yl)-1-phosphono-ethyl]-hydroxy-phosphinate Formula: C17H31NO7P2 MolecularWeight: 423.378062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C[N+](=CC=C1)CC(P(=O)(O)O)P(=O)(O)[O-]

Isomeric SMILES

CCCCCCCCCCOC1=C[N+](=CC=C1)CC(P(=O)(O)O)P(=O)(O)[O-]

InChI

InChI=1S/C17H31NO7P2/c1-2-3-4-5-6-7-8-9-13-25-16-11-10-12-18(14-16)15-17(26(19,20)21)27(22,23)24/h10-12,14,17H,2-9,13,15H2,1H3,(H3-,19,20,21,22,23,24)