4,5-dimethyl-7-(2-methylpropyl)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione

Systemtic Name: 4,5-dimethyl-7-(2-methylpropyl)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione Openeye Name: 7-isobutyl-4,5-dimethyl-3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione CAS Name: 4,5-dimethyl-7-(2-methylpropyl)-3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione IUPAC Name: 4,5-dimethyl-7-(2-methylpropyl)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione Traditional Name: 7-isobutyl-4,5-dimethyl-3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-quinone Formula: C14H22O3 MolecularWeight: 238.32268

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2C(C1C)C(=O)OC2=O)CC(C)C

Isomeric SMILES

CC1CC(C2C(C1C)C(=O)OC2=O)CC(C)C

InChI

InChI=1S/C14H22O3/c1-7(2)5-10-6-8(3)9(4)11-12(10)14(16)17-13(11)15/h7-12H,5-6H2,1-4H3