1-(2-fluorophenyl)-16-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]hexadecan-2-one

Systemtic Name: 1-(2-fluorophenyl)-16-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]hexadecan-2-one Openeye Name: 1-(2-fluorophenyl)-16-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]hexadecan-2-one CAS Name: 1-(2-fluorophenyl)-16-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]-2-hexadecanone IUPAC Name: 1-(2-fluorophenyl)-16-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]hexadecan-2-one Traditional Name: 1-(2-fluorophenyl)-16-[6-(4-mesylphenyl)-1,3-benzodioxol-5-yl]hexadecan-2-one Formula: C36H45FO5S MolecularWeight: 608.802903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2CCCCCCCCCCCCCCC(=O)CC4=CC=CC=C4F)OCO3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2CCCCCCCCCCCCCCC(=O)CC4=CC=CC=C4F)OCO3

InChI

InChI=1S/C36H45FO5S/c1-43(39,40)32-22-20-28(21-23-32)33-26-36-35(41-27-42-36)25-29(33)16-12-10-8-6-4-2-3-5-7-9-11-13-18-31(38)24-30-17-14-15-19-34(30)37/h14-15,17,19-23,25-26H,2-13,16,18,24,27H2,1H3