(E,3R,4S)-4-methyl-3-oxidanyl-1-phenyl-hept-5-en-1-one

Systemtic Name: (E,3R,4S)-4-methyl-3-oxidanyl-1-phenyl-hept-5-en-1-one Openeye Name: (E,3R,4S)-3-hydroxy-4-methyl-1-phenyl-hept-5-en-1-one CAS Name: (E,3R,4S)-3-hydroxy-4-methyl-1-phenyl-5-hepten-1-one IUPAC Name: (E,3R,4S)-3-hydroxy-4-methyl-1-phenylhept-5-en-1-one Traditional Name: (E,3R,4S)-3-hydroxy-4-methyl-1-phenyl-hept-5-en-1-one Formula: C14H18O2 MolecularWeight: 218.29152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O2/c1-3-7-11(2)13(15)10-14(16)12-8-5-4-6-9-12/h3-9,11,13,15H,10H2,1-2H3/b7-3+/t11-,13+/m0/s1