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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CCC(=CC2=CC(=C(C=C2Br)OC)O)C1=O

Isomeric SMILES

CCCCCC1=CC/C(=C\C2=CC(=C(C=C2Br)OC)O)/C1=O

InChI

InChI=1S/C18H21BrO3/c1-3-4-5-6-12-7-8-13(18(12)21)9-14-10-16(20)17(22-2)11-15(14)19/h7,9-11,20H,3-6,8H2,1-2H3/b13-9+