(E,3S,4R)-6-methoxy-1,3,4-tris(phenylmethoxy)hex-5-en-2-one

Systemtic Name: (E,3S,4R)-6-methoxy-1,3,4-tris(phenylmethoxy)hex-5-en-2-one Openeye Name: (E,3S,4R)-1,3,4-tribenzyloxy-6-methoxy-hex-5-en-2-one CAS Name: (E,3S,4R)-6-methoxy-1,3,4-tris(phenylmethoxy)-5-hexen-2-one IUPAC Name: (E,3S,4R)-6-methoxy-1,3,4-tris(phenylmethoxy)hex-5-en-2-one Traditional Name: (E,3S,4R)-1,3,4-tribenzoxy-6-methoxy-hex-5-en-2-one Formula: C28H30O5 MolecularWeight: 446.5348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC=CC(C(C(=O)COCC1=CC=CC=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CO/C=C/[C@H]([C@@H](C(=O)COCC1=CC=CC=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C28H30O5/c1-30-18-17-27(32-20-24-13-7-3-8-14-24)28(33-21-25-15-9-4-10-16-25)26(29)22-31-19-23-11-5-2-6-12-23/h2-18,27-28H,19-22H2,1H3/b18-17+/t27-,28-/m1/s1