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

Systemtic Name: 1-cyclohexyl-16-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]hexadecan-2-one Openeye Name: 1-cyclohexyl-16-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]hexadecan-2-one CAS Name: 1-cyclohexyl-16-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]-2-hexadecanone IUPAC Name: 1-cyclohexyl-16-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]hexadecan-2-one Traditional Name: 1-cyclohexyl-16-[6-(4-mesylphenyl)-1,3-benzodioxol-5-yl]hexadecan-2-one Formula: C36H52O5S MolecularWeight: 596.86008

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2CCCCCCCCCCCCCCC(=O)CC4CCCCC4)OCO3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2CCCCCCCCCCCCCCC(=O)CC4CCCCC4)OCO3

InChI

InChI=1S/C36H52O5S/c1-42(38,39)33-23-21-30(22-24-33)34-27-36-35(40-28-41-36)26-31(34)19-15-10-8-6-4-2-3-5-7-9-11-16-20-32(37)25-29-17-13-12-14-18-29/h21-24,26-27,29H,2-20,25,28H2,1H3