(5-cyano-1-ethoxy-5-ethyl-1-oxidanylidene-heptan-3-yl)phosphonic acid

Systemtic Name: (5-cyano-1-ethoxy-5-ethyl-1-oxidanylidene-heptan-3-yl)phosphonic acid Openeye Name: [3-cyano-1-(2-ethoxy-2-oxo-ethyl)-3-ethyl-pentyl]phosphonic acid CAS Name: (5-cyano-1-ethoxy-5-ethyl-1-oxoheptan-3-yl)phosphonic acid IUPAC Name: (5-cyano-1-ethoxy-5-ethyl-1-oxoheptan-3-yl)phosphonic acid Traditional Name: [3-cyano-1-(2-ethoxy-2-keto-ethyl)-3-ethyl-pentyl]phosphonic acid Formula: C12H22NO5P MolecularWeight: 291.280541

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(CC(=O)OCC)P(=O)(O)O)C#N

Isomeric SMILES

CCC(CC)(CC(CC(=O)OCC)P(=O)(O)O)C#N

InChI

InChI=1S/C12H22NO5P/c1-4-12(5-2,9-13)8-10(19(15,16)17)7-11(14)18-6-3/h10H,4-8H2,1-3H3,(H2,15,16,17)