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

Systemtic Name: [2-(3-octylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(3-octylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(3-octyl-1-pyridin-1-iumyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(3-octylpyridin-1-ium-1-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(3-octylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid Formula: C15H28NO6P2+ MolecularWeight: 380.333442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C[N+](=CC=C1)CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCCCC1=C[N+](=CC=C1)CC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C15H27NO6P2/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,2-7,9,13H2,1H3,(H3-,17,18,19,20,21,22)/p+1