3-acetyloxyhexan-3-ylphosphonic acid

Systemtic Name: 3-acetyloxyhexan-3-ylphosphonic acid Openeye Name: (1-acetoxy-1-ethyl-butyl)phosphonic acid CAS Name: 3-acetyloxyhexan-3-ylphosphonic acid IUPAC Name: 3-acetyloxyhexan-3-ylphosphonic acid Traditional Name: (1-acetoxy-1-ethyl-butyl)phosphonic acid Formula: C8H17O5P MolecularWeight: 224.191341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H17O5P/c1-4-6-8(5-2,13-7(3)9)14(10,11)12/h4-6H2,1-3H3,(H2,10,11,12)