3-(4-ethoxycarbonylphenyl)pentan-3-ylphosphonic acid

Systemtic Name: 3-(4-ethoxycarbonylphenyl)pentan-3-ylphosphonic acid Openeye Name: [1-(4-ethoxycarbonylphenyl)-1-ethyl-propyl]phosphonic acid CAS Name: 3-(4-ethoxycarbonylphenyl)pentan-3-ylphosphonic acid IUPAC Name: 3-(4-ethoxycarbonylphenyl)pentan-3-ylphosphonic acid Traditional Name: [1-(4-carbethoxyphenyl)-1-ethyl-propyl]phosphonic acid Formula: C14H21O5P MolecularWeight: 300.287301

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=C(C=C1)C(=O)OCC)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC=C(C=C1)C(=O)OCC)P(=O)(O)O

InChI

InChI=1S/C14H21O5P/c1-4-14(5-2,20(16,17)18)12-9-7-11(8-10-12)13(15)19-6-3/h7-10H,4-6H2,1-3H3,(H2,16,17,18)