4,6-dimethyl-2-(3-methylbutanoyl)-3,5,6-tris(oxidanyl)cyclohexa-2,4-dien-1-one

Systemtic Name: 4,6-dimethyl-2-(3-methylbutanoyl)-3,5,6-tris(oxidanyl)cyclohexa-2,4-dien-1-one Openeye Name: 3,5,6-trihydroxy-4,6-dimethyl-2-(3-methylbutanoyl)cyclohexa-2,4-dien-1-one CAS Name: 3,5,6-trihydroxy-4,6-dimethyl-2-(3-methyl-1-oxobutyl)-1-cyclohexa-2,4-dienone IUPAC Name: 3,5,6-trihydroxy-4,6-dimethyl-2-(3-methylbutanoyl)cyclohexa-2,4-dien-1-one Traditional Name: 3,5,6-trihydroxy-2-isovaleryl-4,6-dimethyl-cyclohexa-2,4-dien-1-one Formula: C13H18O5 MolecularWeight: 254.27902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)C(=C1O)C(=O)CC(C)C)(C)O)O

Isomeric SMILES

CC1=C(C(C(=O)C(=C1O)C(=O)CC(C)C)(C)O)O

InChI

InChI=1S/C13H18O5/c1-6(2)5-8(14)9-10(15)7(3)11(16)13(4,18)12(9)17/h6,15-16,18H,5H2,1-4H3