4-ethoxycarbonylhexan-3-ylphosphonic acid

Systemtic Name: 4-ethoxycarbonylhexan-3-ylphosphonic acid Openeye Name: (2-ethoxycarbonyl-1-ethyl-butyl)phosphonic acid CAS Name: 4-ethoxycarbonylhexan-3-ylphosphonic acid IUPAC Name: 4-ethoxycarbonylhexan-3-ylphosphonic acid Traditional Name: (2-carbethoxy-1-ethyl-butyl)phosphonic acid Formula: C9H19O5P MolecularWeight: 238.217921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H19O5P/c1-4-7(9(10)14-6-3)8(5-2)15(11,12)13/h7-8H,4-6H2,1-3H3,(H2,11,12,13)