[2-(3-dec-1-ynylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(3-dec-1-ynylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(3-dec-1-ynylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(3-dec-1-ynyl-1-pyridin-1-iumyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(3-dec-1-ynylpyridin-1-ium-1-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(3-dec-1-ynylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid Formula: C17H28NO6P2+ MolecularWeight: 404.354842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO6P2/c1-2-3-4-5-6-7-8-9-11-16-12-10-13-18(14-16)15-17(25(19,20)21)26(22,23)24/h10,12-14,17H,2-8,15H2,1H3,(H3-,19,20,21,22,23,24)/p+1