(E,2R,3S,4R)-1,3,4-tris(phenylmethoxy)octadec-6-en-2-ol

Systemtic Name: (E,2R,3S,4R)-1,3,4-tris(phenylmethoxy)octadec-6-en-2-ol Openeye Name: (E,2R,3S,4R)-1,3,4-tribenzyloxyoctadec-6-en-2-ol CAS Name: (E,2R,3S,4R)-1,3,4-tris(phenylmethoxy)-6-octadecen-2-ol IUPAC Name: (E,2R,3S,4R)-1,3,4-tris(phenylmethoxy)octadec-6-en-2-ol Traditional Name: (E,2R,3S,4R)-1,3,4-tribenzoxyoctadec-6-en-2-ol Formula: C39H54O4 MolecularWeight: 586.84366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H54O4/c1-2-3-4-5-6-7-8-9-10-11-12-22-29-38(42-31-35-25-18-14-19-26-35)39(43-32-36-27-20-15-21-28-36)37(40)33-41-30-34-23-16-13-17-24-34/h12-28,37-40H,2-11,29-33H2,1H3/b22-12+/t37-,38-,39+/m1/s1