3-bromanyl-5-butan-2-yl-7-ethanoyl-2-oxidanyl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 3-bromanyl-5-butan-2-yl-7-ethanoyl-2-oxidanyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 7-acetyl-3-bromo-2-hydroxy-5-sec-butyl-cyclohepta-2,4,6-trien-1-one CAS Name: 7-acetyl-3-bromo-5-butan-2-yl-2-hydroxy-1-cyclohepta-2,4,6-trienone IUPAC Name: 7-acetyl-3-bromo-5-butan-2-yl-2-hydroxycyclohepta-2,4,6-trien-1-one Traditional Name: 7-acetyl-3-bromo-2-hydroxy-5-sec-butyl-cyclohepta-2,4,6-trien-1-one Formula: C13H15BrO3 MolecularWeight: 299.1604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C(=O)C(=C1)C(=O)C)O)Br

Isomeric SMILES

CCC(C)C1=CC(=C(C(=O)C(=C1)C(=O)C)O)Br

InChI

InChI=1S/C13H15BrO3/c1-4-7(2)9-5-10(8(3)15)12(16)13(17)11(14)6-9/h5-7H,4H2,1-3H3,(H,16,17)