(2R,3aR)-2-(2-oxidanylpropan-2-yl)-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-4,6-dione

Systemtic Name: (2R,3aR)-2-(2-oxidanylpropan-2-yl)-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-4,6-dione Openeye Name: (2R,3aR)-3a-allyl-2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrobenzofuran-4,6-dione CAS Name: (2R,3aR)-2-(2-hydroxypropan-2-yl)-3a-prop-2-enyl-2,3-dihydrobenzofuran-4,6-dione IUPAC Name: (2R,3aR)-2-(2-hydroxypropan-2-yl)-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-4,6-dione Traditional Name: (2R,3aR)-3a-allyl-2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrobenzofuran-4,6-quinone Formula: C14H18O4 MolecularWeight: 250.29032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CC2(C(=O)CC(=O)C=C2O1)CC=C)O

Isomeric SMILES

CC(C)([C@H]1C[C@]2(C(=O)CC(=O)C=C2O1)CC=C)O

InChI

InChI=1S/C14H18O4/c1-4-5-14-8-12(13(2,3)17)18-11(14)7-9(15)6-10(14)16/h4,7,12,17H,1,5-6,8H2,2-3H3/t12-,14+/m1/s1