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

Systemtic Name: (3S,4R)-5-methyl-1,3,4-tris(phenylmethoxy)hex-5-en-2-one Openeye Name: (3S,4R)-1,3,4-tribenzyloxy-5-methyl-hex-5-en-2-one CAS Name: (3S,4R)-5-methyl-1,3,4-tris(phenylmethoxy)-5-hexen-2-one IUPAC Name: (3S,4R)-5-methyl-1,3,4-tris(phenylmethoxy)hex-5-en-2-one Traditional Name: (3S,4R)-1,3,4-tribenzoxy-5-methyl-hex-5-en-2-one Formula: C28H30O4 MolecularWeight: 430.5354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30O4/c1-22(2)27(31-19-24-14-8-4-9-15-24)28(32-20-25-16-10-5-11-17-25)26(29)21-30-18-23-12-6-3-7-13-23/h3-17,27-28H,1,18-21H2,2H3/t27-,28-/m1/s1