4-[3,5-dimethyl-4-(2-oxidanylidenepropoxy)phenyl]-2-propan-2-yl-benzoic acid

Systemtic Name: 4-[3,5-dimethyl-4-(2-oxidanylidenepropoxy)phenyl]-2-propan-2-yl-benzoic acid Openeye Name: 4-(4-acetonyloxy-3,5-dimethyl-phenyl)-2-isopropyl-benzoic acid CAS Name: 4-[3,5-dimethyl-4-(2-oxopropoxy)phenyl]-2-propan-2-ylbenzoic acid IUPAC Name: 4-[3,5-dimethyl-4-(2-oxopropoxy)phenyl]-2-propan-2-ylbenzoic acid Traditional Name: 4-(4-acetonyloxy-3,5-dimethyl-phenyl)-2-isopropyl-benzoic acid Formula: C21H24O4 MolecularWeight: 340.41286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)C)C)C2=CC(=C(C=C2)C(=O)O)C(C)C

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)C)C)C2=CC(=C(C=C2)C(=O)O)C(C)C

InChI

InChI=1S/C21H24O4/c1-12(2)19-10-16(6-7-18(19)21(23)24)17-8-13(3)20(14(4)9-17)25-11-15(5)22/h6-10,12H,11H2,1-5H3,(H,23,24)