[2-(3-bromanyl-5-decoxy-pyridin-1-ium-1-yl)-1-phosphono-ethyl]-oxidanyl-phosphinate

Systemtic Name: [2-(3-bromanyl-5-decoxy-pyridin-1-ium-1-yl)-1-phosphono-ethyl]-oxidanyl-phosphinate Openeye Name: [2-(3-bromo-5-decoxy-pyridin-1-ium-1-yl)-1-phosphono-ethyl]-hydroxy-phosphinate CAS Name: [2-(3-bromo-5-decoxy-1-pyridin-1-iumyl)-1-phosphonoethyl]-hydroxyphosphinate IUPAC Name: [2-(3-bromo-5-decoxypyridin-1-ium-1-yl)-1-phosphonoethyl]-hydroxyphosphinate Traditional Name: [2-(3-bromo-5-decoxy-pyridin-1-ium-1-yl)-1-phosphono-ethyl]-hydroxy-phosphinate Formula: C17H30BrNO7P2 MolecularWeight: 502.274122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30BrNO7P2/c1-2-3-4-5-6-7-8-9-10-26-16-11-15(18)12-19(13-16)14-17(27(20,21)22)28(23,24)25/h11-13,17H,2-10,14H2,1H3,(H3-,20,21,22,23,24,25)