(3aR,7aS)-3a-(3-methylbut-2-enyl)-5,6,7,7a-tetrahydro-3H-1-benzofuran-2,4-dione

Systemtic Name: (3aR,7aS)-3a-(3-methylbut-2-enyl)-5,6,7,7a-tetrahydro-3H-1-benzofuran-2,4-dione Openeye Name: (3aR,7aS)-3a-(3-methylbut-2-enyl)-5,6,7,7a-tetrahydro-3H-benzofuran-2,4-dione CAS Name: (3aR,7aS)-3a-(3-methylbut-2-enyl)-5,6,7,7a-tetrahydro-3H-benzofuran-2,4-dione IUPAC Name: (3aR,7aS)-3a-(3-methylbut-2-enyl)-5,6,7,7a-tetrahydro-3H-1-benzofuran-2,4-dione Traditional Name: (3aR,7aS)-3a-(3-methylbut-2-enyl)-5,6,7,7a-tetrahydro-3H-benzofuran-2,4-quinone Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC12CC(=O)OC1CCCC2=O)C

Isomeric SMILES

CC(=CC[C@@]12CC(=O)O[C@H]1CCCC2=O)C

InChI

InChI=1S/C13H18O3/c1-9(2)6-7-13-8-12(15)16-11(13)5-3-4-10(13)14/h6,11H,3-5,7-8H2,1-2H3/t11-,13-/m0/s1