4-[3-ethanoyl-2,6-bis(oxidanyl)phenyl]butan-2-one

Systemtic Name: 4-[3-ethanoyl-2,6-bis(oxidanyl)phenyl]butan-2-one Openeye Name: 4-(3-acetyl-2,6-dihydroxy-phenyl)butan-2-one CAS Name: 4-(3-acetyl-2,6-dihydroxyphenyl)-2-butanone IUPAC Name: 4-(3-acetyl-2,6-dihydroxyphenyl)butan-2-one Traditional Name: 4-(3-acetyl-2,6-dihydroxy-phenyl)butan-2-one Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=C(C=CC(=C1O)C(=O)C)O

Isomeric SMILES

CC(=O)CCC1=C(C=CC(=C1O)C(=O)C)O

InChI

InChI=1S/C12H14O4/c1-7(13)3-4-10-11(15)6-5-9(8(2)14)12(10)16/h5-6,15-16H,3-4H2,1-2H3