(3-ethoxycarbonyl-4-ethyl-octan-3-yl)phosphonic acid

Systemtic Name: (3-ethoxycarbonyl-4-ethyl-octan-3-yl)phosphonic acid Openeye Name: (1-ethoxycarbonyl-1,2-diethyl-hexyl)phosphonic acid CAS Name: (3-ethoxycarbonyl-4-ethyloctan-3-yl)phosphonic acid IUPAC Name: (3-ethoxycarbonyl-4-ethyloctan-3-yl)phosphonic acid Traditional Name: (1-carbethoxy-1,2-diethyl-hexyl)phosphonic acid Formula: C13H27O5P MolecularWeight: 294.324241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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