(4aS,8aR)-4a-ethanoyl-2,2-dimethyl-8,8a-dihydro-3H-chromene-4,7-dione

Systemtic Name: (4aS,8aR)-4a-ethanoyl-2,2-dimethyl-8,8a-dihydro-3H-chromene-4,7-dione Openeye Name: (4aS,8aR)-4a-acetyl-2,2-dimethyl-8,8a-dihydro-3H-chromene-4,7-dione CAS Name: (4aS,8aR)-4a-acetyl-2,2-dimethyl-8,8a-dihydro-3H-1-benzopyran-4,7-dione IUPAC Name: (4aS,8aR)-4a-acetyl-2,2-dimethyl-8,8a-dihydro-3H-chromene-4,7-dione Traditional Name: (4aS,8aR)-4a-acetyl-2,2-dimethyl-8,8a-dihydro-3H-chromene-4,7-quinone Formula: C13H16O4 MolecularWeight: 236.26374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C12C=CC(=O)CC1OC(CC2=O)(C)C

Isomeric SMILES

CC(=O)[C@]12C=CC(=O)C[C@H]1OC(CC2=O)(C)C

InChI

InChI=1S/C13H16O4/c1-8(14)13-5-4-9(15)6-11(13)17-12(2,3)7-10(13)16/h4-5,11H,6-7H2,1-3H3/t11-,13+/m1/s1