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

Systemtic Name: [2-(2-cyanopyridin-4-yl)-2-ethyl-butyl]phosphonic acid Openeye Name: [2-(2-cyano-4-pyridyl)-2-ethyl-butyl]phosphonic acid CAS Name: [2-(2-cyano-4-pyridinyl)-2-ethylbutyl]phosphonic acid IUPAC Name: [2-(2-cyanopyridin-4-yl)-2-ethylbutyl]phosphonic acid Traditional Name: [2-(2-cyano-4-pyridyl)-2-ethyl-butyl]phosphonic acid Formula: C12H17N2O3P MolecularWeight: 268.248741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N2O3P/c1-3-12(4-2,9-18(15,16)17)10-5-6-14-11(7-10)8-13/h5-7H,3-4,9H2,1-2H3,(H2,15,16,17)