4-ethanoyl-2-methyl-4-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-ethanoyl-2-methyl-4-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-acetyl-4-hydroxy-2-methyl-cyclohexa-2,5-dien-1-one CAS Name: 4-acetyl-4-hydroxy-2-methyl-1-cyclohexa-2,5-dienone IUPAC Name: 4-acetyl-4-hydroxy-2-methylcyclohexa-2,5-dien-1-one Traditional Name: 4-acetyl-4-hydroxy-2-methyl-cyclohexa-2,5-dien-1-one Formula: C9H10O3 MolecularWeight: 166.1739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O3/c1-6-5-9(12,7(2)10)4-3-8(6)11/h3-5,12H,1-2H3