(E,2S)-7,7-dimethoxy-2-phenylmethoxy-hept-4-en-3-one

Systemtic Name: (E,2S)-7,7-dimethoxy-2-phenylmethoxy-hept-4-en-3-one Openeye Name: (E,2S)-2-benzyloxy-7,7-dimethoxy-hept-4-en-3-one CAS Name: (E,2S)-7,7-dimethoxy-2-phenylmethoxy-4-hepten-3-one IUPAC Name: (E,2S)-7,7-dimethoxy-2-phenylmethoxyhept-4-en-3-one Traditional Name: (E,2S)-2-benzoxy-7,7-dimethoxy-hept-4-en-3-one Formula: C16H22O4 MolecularWeight: 278.34348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C=CCC(OC)OC)OCC1=CC=CC=C1

Isomeric SMILES

C[C@@H](C(=O)/C=C/CC(OC)OC)OCC1=CC=CC=C1

InChI

InChI=1S/C16H22O4/c1-13(20-12-14-8-5-4-6-9-14)15(17)10-7-11-16(18-2)19-3/h4-10,13,16H,11-12H2,1-3H3/b10-7+/t13-/m0/s1