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

Systemtic Name: 3-bromanyl-7-ethanoyl-2-oxidanyl-5-pentan-3-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 7-acetyl-3-bromo-5-(1-ethylpropyl)-2-hydroxy-cyclohepta-2,4,6-trien-1-one CAS Name: 7-acetyl-3-bromo-2-hydroxy-5-pentan-3-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 7-acetyl-3-bromo-2-hydroxy-5-pentan-3-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 7-acetyl-3-bromo-5-(1-ethylpropyl)-2-hydroxy-cyclohepta-2,4,6-trien-1-one Formula: C14H17BrO3 MolecularWeight: 313.18698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrO3/c1-4-9(5-2)10-6-11(8(3)16)13(17)14(18)12(15)7-10/h6-7,9H,4-5H2,1-3H3,(H,17,18)