[3-(2-cyanopyridin-4-yl)-3-ethyl-pentyl]phosphonic acid

Systemtic Name: [3-(2-cyanopyridin-4-yl)-3-ethyl-pentyl]phosphonic acid Openeye Name: [3-(2-cyano-4-pyridyl)-3-ethyl-pentyl]phosphonic acid CAS Name: [3-(2-cyano-4-pyridinyl)-3-ethylpentyl]phosphonic acid IUPAC Name: [3-(2-cyanopyridin-4-yl)-3-ethylpentyl]phosphonic acid Traditional Name: [3-(2-cyano-4-pyridyl)-3-ethyl-pentyl]phosphonic acid Formula: C13H19N2O3P MolecularWeight: 282.275321

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCP(=O)(O)O)C1=CC(=NC=C1)C#N

Isomeric SMILES

CCC(CC)(CCP(=O)(O)O)C1=CC(=NC=C1)C#N

InChI

InChI=1S/C13H19N2O3P/c1-3-13(4-2,6-8-19(16,17)18)11-5-7-15-12(9-11)10-14/h5,7,9H,3-4,6,8H2,1-2H3,(H2,16,17,18)