3-(2-ethanoyl-5,5-dimethyl-3-oxidanylidene-cyclohexyl)-7-oxidanyl-chromene-2,4-dione

Systemtic Name: 3-(2-ethanoyl-5,5-dimethyl-3-oxidanylidene-cyclohexyl)-7-oxidanyl-chromene-2,4-dione Openeye Name: 3-(2-acetyl-5,5-dimethyl-3-oxo-cyclohexyl)-7-hydroxy-chromane-2,4-dione CAS Name: 3-(2-acetyl-5,5-dimethyl-3-oxocyclohexyl)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-2,4-dione IUPAC Name: 3-(2-acetyl-5,5-dimethyl-3-oxocyclohexyl)-7-hydroxychromene-2,4-dione Traditional Name: 3-(2-acetyl-3-keto-5,5-dimethyl-cyclohexyl)-7-hydroxy-chroman-2,4-quinone Formula: C19H20O6 MolecularWeight: 344.3585

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(CC(CC1=O)(C)C)C2C(=O)C3=C(C=C(C=C3)O)OC2=O

Isomeric SMILES

CC(=O)C1C(CC(CC1=O)(C)C)C2C(=O)C3=C(C=C(C=C3)O)OC2=O

InChI

InChI=1S/C19H20O6/c1-9(20)15-12(7-19(2,3)8-13(15)22)16-17(23)11-5-4-10(21)6-14(11)25-18(16)24/h4-6,12,15-16,21H,7-8H2,1-3H3