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

Systemtic Name: 2-butanoyl-4,6-dimethyl-3,5,6-tris(oxidanyl)cyclohexa-2,4-dien-1-one Openeye Name: 2-butanoyl-3,5,6-trihydroxy-4,6-dimethyl-cyclohexa-2,4-dien-1-one CAS Name: 3,5,6-trihydroxy-4,6-dimethyl-2-(1-oxobutyl)-1-cyclohexa-2,4-dienone IUPAC Name: 2-butanoyl-3,5,6-trihydroxy-4,6-dimethylcyclohexa-2,4-dien-1-one Traditional Name: 2-butyryl-3,5,6-trihydroxy-4,6-dimethyl-cyclohexa-2,4-dien-1-one Formula: C12H16O5 MolecularWeight: 240.25244

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(=C(C(C1=O)(C)O)O)C)O

Isomeric SMILES

CCCC(=O)C1=C(C(=C(C(C1=O)(C)O)O)C)O

InChI

InChI=1S/C12H16O5/c1-4-5-7(13)8-9(14)6(2)10(15)12(3,17)11(8)16/h14-15,17H,4-5H2,1-3H3