(5-methyl-2-propan-2-yl-phenyl) 3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-carboxylate Openeye Name: (2-isopropyl-5-methyl-phenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carboxylate CAS Name: 3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carboxylic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate Traditional Name: 4-keto-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C22H26O4 MolecularWeight: 354.43944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=C(C3=C(O2)CC(CC3=O)(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=C(C3=C(O2)CC(CC3=O)(C)C)C

InChI

InChI=1S/C22H26O4/c1-12(2)15-8-7-13(3)9-17(15)26-21(24)20-14(4)19-16(23)10-22(5,6)11-18(19)25-20/h7-9,12H,10-11H2,1-6H3