3-(1,3-benzodioxol-5-yl)-2-methyl-2-octadecyl-henicosane-1,1-diol

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-methyl-2-octadecyl-henicosane-1,1-diol Openeye Name: 3-(1,3-benzodioxol-5-yl)-2-methyl-2-octadecyl-henicosane-1,1-diol CAS Name: 3-(1,3-benzodioxol-5-yl)-2-methyl-2-octadecylheneicosane-1,1-diol IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-methyl-2-octadecylhenicosane-1,1-diol Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-methyl-2-stearyl-heneicosane-1,1-diol Formula: C47H86O4 MolecularWeight: 715.18334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C1=CC2=C(C=C1)OCO2)C(C)(CCCCCCCCCCCCCCCCCC)C(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C1=CC2=C(C=C1)OCO2)C(C)(CCCCCCCCCCCCCCCCCC)C(O)O

InChI

InChI=1S/C47H86O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(42-37-38-44-45(40-42)51-41-50-44)47(3,46(48)49)39-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h37-38,40,43,46,48-49H,4-36,39,41H2,1-3H3