(3S,3aR)-3-(furan-3-yl)-3a,7-dimethyl-4,5-dihydro-3H-2-benzofuran-1,6-dione

Systemtic Name: (3S,3aR)-3-(furan-3-yl)-3a,7-dimethyl-4,5-dihydro-3H-2-benzofuran-1,6-dione Openeye Name: (3S,3aR)-3-(3-furyl)-3a,7-dimethyl-4,5-dihydro-3H-isobenzofuran-1,6-dione CAS Name: (3S,3aR)-3-(3-furanyl)-3a,7-dimethyl-4,5-dihydro-3H-isobenzofuran-1,6-dione IUPAC Name: (3S,3aR)-3-(furan-3-yl)-3a,7-dimethyl-4,5-dihydro-3H-2-benzofuran-1,6-dione Traditional Name: (3S,3aR)-3-(3-furyl)-3a,7-dimethyl-4,5-dihydro-3H-isobenzofuran-1,6-quinone Formula: C14H14O4 MolecularWeight: 246.25856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=O)OC(C2(CCC1=O)C)C3=COC=C3

Isomeric SMILES

CC1=C2C(=O)O[C@@H]([C@@]2(CCC1=O)C)C3=COC=C3

InChI

InChI=1S/C14H14O4/c1-8-10(15)3-5-14(2)11(8)13(16)18-12(14)9-4-6-17-7-9/h4,6-7,12H,3,5H2,1-2H3/t12-,14-/m1/s1