(3R,3aR,7aR)-3-methyl-7a-prop-2-ynyl-3a,4-dihydro-3H-2-benzofuran-1,7-dione

Systemtic Name: (3R,3aR,7aR)-3-methyl-7a-prop-2-ynyl-3a,4-dihydro-3H-2-benzofuran-1,7-dione Openeye Name: (3R,3aR,7aR)-3-methyl-7a-prop-2-ynyl-3a,4-dihydro-3H-isobenzofuran-1,7-dione CAS Name: (3R,3aR,7aR)-3-methyl-7a-prop-2-ynyl-3a,4-dihydro-3H-isobenzofuran-1,7-dione IUPAC Name: (3R,3aR,7aR)-3-methyl-7a-prop-2-ynyl-3a,4-dihydro-3H-2-benzofuran-1,7-dione Traditional Name: (3R,3aR,7aR)-3-methyl-7a-propargyl-3a,4-dihydro-3H-isobenzofuran-1,7-quinone Formula: C12H12O3 MolecularWeight: 204.22188

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CC=CC(=O)C2(C(=O)O1)CC#C

Isomeric SMILES

C[C@@H]1[C@@H]2CC=CC(=O)[C@@]2(C(=O)O1)CC#C

InChI

InChI=1S/C12H12O3/c1-3-7-12-9(5-4-6-10(12)13)8(2)15-11(12)14/h1,4,6,8-9H,5,7H2,2H3/t8-,9+,12-/m1/s1