3-(4-propan-2-ylphenyl)propanoylphosphonic acid

Systemtic Name: 3-(4-propan-2-ylphenyl)propanoylphosphonic acid Openeye Name: 3-(4-isopropylphenyl)propanoylphosphonic acid CAS Name: [1-oxo-3-(4-propan-2-ylphenyl)propyl]phosphonic acid IUPAC Name: 3-(4-propan-2-ylphenyl)propanoylphosphonic acid Traditional Name: 3-p-cumenylpropanoylphosphonic acid Formula: C12H17O4P MolecularWeight: 256.234741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17O4P/c1-9(2)11-6-3-10(4-7-11)5-8-12(13)17(14,15)16/h3-4,6-7,9H,5,8H2,1-2H3,(H2,14,15,16)