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

Systemtic Name: 4-[3,5-dimethyl-4-(2-oxidanylidenepropoxy)phenyl]-2-propan-2-yl-benzoate Openeye Name: 4-(4-acetonyloxy-3,5-dimethyl-phenyl)-2-isopropyl-benzoate CAS Name: 4-[3,5-dimethyl-4-(2-oxopropoxy)phenyl]-2-propan-2-ylbenzoate IUPAC Name: 4-[3,5-dimethyl-4-(2-oxopropoxy)phenyl]-2-propan-2-ylbenzoate Traditional Name: 4-(4-acetonyloxy-3,5-dimethyl-phenyl)-2-isopropyl-benzoate Formula: C21H23O4- MolecularWeight: 339.40492

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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)/p-1