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

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

Systemtic Name:5-butan-2-yl-3-ethanoyl-2-oxidanyl-cyclohepta-2,4,6-trien-1-one
Openeye Name:3-acetyl-2-hydroxy-5-sec-butyl-cyclohepta-2,4,6-trien-1-one
CAS Name:3-acetyl-5-butan-2-yl-2-hydroxy-1-cyclohepta-2,4,6-trienone
IUPAC Name:3-acetyl-5-butan-2-yl-2-hydroxycyclohepta-2,4,6-trien-1-one
Traditional Name:3-acetyl-2-hydroxy-5-sec-butyl-cyclohepta-2,4,6-trien-1-one
Formula: C13H16O3
MolecularWeight: 220.26434
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H16O3/c1-4-8(2)10-5-6-12(15)13(16)11(7-10)9(3)14/h5-8H,4H2,1-3H3,(H,15,16)


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