1,6-dioctadecoxy-2,5-bis(phenylmethoxy)hexane-3,4-diol

Systemtic Name: 1,6-dioctadecoxy-2,5-bis(phenylmethoxy)hexane-3,4-diol Openeye Name: 2,5-dibenzyloxy-1,6-dioctadecoxy-hexane-3,4-diol CAS Name: 1,6-dioctadecoxy-2,5-bis(phenylmethoxy)hexane-3,4-diol IUPAC Name: 1,6-dioctadecoxy-2,5-bis(phenylmethoxy)hexane-3,4-diol Traditional Name: 2,5-dibenzoxy-1,6-distearyloxy-hexane-3,4-diol Formula: C56H98O6 MolecularWeight: 867.37372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(C(C(C(COCCCCCCCCCCCCCCCCCC)OCC1=CC=CC=C1)O)O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(C(C(C(COCCCCCCCCCCCCCCCCCC)OCC1=CC=CC=C1)O)O)OCC2=CC=CC=C2

InChI

InChI=1S/C56H98O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39-45-59-49-53(61-47-51-41-35-33-36-42-51)55(57)56(58)54(62-48-52-43-37-34-38-44-52)50-60-46-40-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-38,41-44,53-58H,3-32,39-40,45-50H2,1-2H3