(E,4S,5R)-4-methyl-5-oxidanyl-7-phenyl-hept-6-en-3-one

Systemtic Name: (E,4S,5R)-4-methyl-5-oxidanyl-7-phenyl-hept-6-en-3-one Openeye Name: (E,4S,5R)-5-hydroxy-4-methyl-7-phenyl-hept-6-en-3-one CAS Name: (E,4S,5R)-5-hydroxy-4-methyl-7-phenyl-6-hepten-3-one IUPAC Name: (E,4S,5R)-5-hydroxy-4-methyl-7-phenylhept-6-en-3-one Traditional Name: (E,4S,5R)-5-hydroxy-4-methyl-7-phenyl-hept-6-en-3-one Formula: C14H18O2 MolecularWeight: 218.29152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)C(C=CC1=CC=CC=C1)O

Isomeric SMILES

CCC(=O)[C@@H](C)[C@@H](/C=C/C1=CC=CC=C1)O

InChI

InChI=1S/C14H18O2/c1-3-13(15)11(2)14(16)10-9-12-7-5-4-6-8-12/h4-11,14,16H,3H2,1-2H3/b10-9+/t11-,14-/m1/s1