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

Systemtic Name: [2-[3-(octylsulfonylamino)pyridin-1-ium-1-yl]-1-phosphono-ethyl]-oxidanyl-phosphinate Openeye Name: hydroxy-[2-[3-(octylsulfonylamino)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphinate CAS Name: hydroxy-[2-[3-(octylsulfonylamino)-1-pyridin-1-iumyl]-1-phosphonoethyl]phosphinate IUPAC Name: hydroxy-[2-[3-(octylsulfonylamino)pyridin-1-ium-1-yl]-1-phosphonoethyl]phosphinate Traditional Name: hydroxy-[2-[3-(octylsulfonylamino)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphinate Formula: C15H28N2O8P2S MolecularWeight: 458.403942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NC1=C[N+](=CC=C1)CC(P(=O)(O)O)P(=O)(O)[O-]

Isomeric SMILES

CCCCCCCCS(=O)(=O)NC1=C[N+](=CC=C1)CC(P(=O)(O)O)P(=O)(O)[O-]

InChI

InChI=1S/C15H28N2O8P2S/c1-2-3-4-5-6-7-11-28(24,25)16-14-9-8-10-17(12-14)13-15(26(18,19)20)27(21,22)23/h8-10,12,15-16H,2-7,11,13H2,1H3,(H3-,18,19,20,21,22,23)