[2-(5-dodecoxypyridin-3-yl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(5-dodecoxypyridin-3-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(5-dodecoxy-3-pyridyl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(5-dodecoxy-3-pyridinyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(5-dodecoxypyridin-3-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(5-lauryloxy-3-pyridyl)-1-phosphono-ethyl]phosphonic acid Formula: C19H35NO7P2 MolecularWeight: 451.431222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CN=CC(=C1)CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CN=CC(=C1)CC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C19H35NO7P2/c1-2-3-4-5-6-7-8-9-10-11-12-27-18-13-17(15-20-16-18)14-19(28(21,22)23)29(24,25)26/h13,15-16,19H,2-12,14H2,1H3,(H2,21,22,23)(H2,24,25,26)