(E)-1-(5-methyl-2-oxidanyl-phenyl)hept-2-en-1-one

Systemtic Name: (E)-1-(5-methyl-2-oxidanyl-phenyl)hept-2-en-1-one Openeye Name: (E)-1-(2-hydroxy-5-methyl-phenyl)hept-2-en-1-one CAS Name: (E)-1-(2-hydroxy-5-methylphenyl)-2-hepten-1-one IUPAC Name: (E)-1-(2-hydroxy-5-methylphenyl)hept-2-en-1-one Traditional Name: (E)-1-(2-hydroxy-5-methyl-phenyl)hept-2-en-1-one Formula: C14H18O2 MolecularWeight: 218.29152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC(=O)C1=C(C=CC(=C1)C)O

Isomeric SMILES

CCCC/C=C/C(=O)C1=C(C=CC(=C1)C)O

InChI

InChI=1S/C14H18O2/c1-3-4-5-6-7-13(15)12-10-11(2)8-9-14(12)16/h6-10,16H,3-5H2,1-2H3/b7-6+