(5E)-5-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-2-pentyl-cyclopent-2-en-1-one

Systemtic Name: (5E)-5-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-2-pentyl-cyclopent-2-en-1-one Openeye Name: (5E)-5-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylene]-2-pentyl-cyclopent-2-en-1-one CAS Name: (5E)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-pentyl-1-cyclopent-2-enone IUPAC Name: (5E)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-pentylcyclopent-2-en-1-one Traditional Name: (5E)-2-amyl-5-(3-bromo-4-hydroxy-5-methoxy-benzylidene)cyclopent-2-en-1-one Formula: C18H21BrO3 MolecularWeight: 365.26154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CCC(=CC2=CC(=C(C(=C2)Br)O)OC)C1=O

Isomeric SMILES

CCCCCC1=CC/C(=C\C2=CC(=C(C(=C2)Br)O)OC)/C1=O

InChI

InChI=1S/C18H21BrO3/c1-3-4-5-6-13-7-8-14(17(13)20)9-12-10-15(19)18(21)16(11-12)22-2/h7,9-11,21H,3-6,8H2,1-2H3/b14-9+