(2-ethoxycarbonyl-6-ethyl-phenyl)methylphosphonic acid

Systemtic Name: (2-ethoxycarbonyl-6-ethyl-phenyl)methylphosphonic acid Openeye Name: (2-ethoxycarbonyl-6-ethyl-phenyl)methylphosphonic acid CAS Name: (2-ethoxycarbonyl-6-ethylphenyl)methylphosphonic acid IUPAC Name: (2-ethoxycarbonyl-6-ethylphenyl)methylphosphonic acid Traditional Name: (2-carbethoxy-6-ethyl-benzyl)phosphonic acid Formula: C12H17O5P MolecularWeight: 272.234141

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1CP(=O)(O)O)C(=O)OCC

Isomeric SMILES

CCC1=CC=CC(=C1CP(=O)(O)O)C(=O)OCC

InChI

InChI=1S/C12H17O5P/c1-3-9-6-5-7-10(12(13)17-4-2)11(9)8-18(14,15)16/h5-7H,3-4,8H2,1-2H3,(H2,14,15,16)