(6-ethoxycarbonyl-6-ethyl-octan-4-yl)phosphonic acid

Systemtic Name: (6-ethoxycarbonyl-6-ethyl-octan-4-yl)phosphonic acid Openeye Name: (3-ethoxycarbonyl-3-ethyl-1-propyl-pentyl)phosphonic acid CAS Name: (6-ethoxycarbonyl-6-ethyloctan-4-yl)phosphonic acid IUPAC Name: (6-ethoxycarbonyl-6-ethyloctan-4-yl)phosphonic acid Traditional Name: (3-carbethoxy-3-ethyl-1-propyl-pentyl)phosphonic acid Formula: C13H27O5P MolecularWeight: 294.324241

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(CC)(CC)C(=O)OCC)P(=O)(O)O

Isomeric SMILES

CCCC(CC(CC)(CC)C(=O)OCC)P(=O)(O)O

InChI

InChI=1S/C13H27O5P/c1-5-9-11(19(15,16)17)10-13(6-2,7-3)12(14)18-8-4/h11H,5-10H2,1-4H3,(H2,15,16,17)