1,2,2,3,3,4,4,5-octakis(decan-3-ylsulfonyl)cyclohexan-1-ol

Systemtic Name: 1,2,2,3,3,4,4,5-octakis(decan-3-ylsulfonyl)cyclohexan-1-ol Openeye Name: 1,2,2,3,3,4,4,5-octakis(1-ethyloctylsulfonyl)cyclohexanol CAS Name: 1,2,2,3,3,4,4,5-octakis(decan-3-ylsulfonyl)-1-cyclohexanol IUPAC Name: 1,2,2,3,3,4,4,5-octakis(decan-3-ylsulfonyl)cyclohexan-1-ol Traditional Name: 1,2,2,3,3,4,4,5-octakis(1-ethyloctylsulfonyl)cyclohexanol Formula: C86H172O17S8 MolecularWeight: 1734.79568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CC)S(=O)(=O)C1CC(C(C(C1(S(=O)(=O)C(CC)CCCCCCC)S(=O)(=O)C(CC)CCCCCCC)(S(=O)(=O)C(CC)CCCCCCC)S(=O)(=O)C(CC)CCCCCCC)(S(=O)(=O)C(CC)CCCCCCC)S(=O)(=O)C(CC)CCCCCCC)(O)S(=O)(=O)C(CC)CCCCCCC

Isomeric SMILES

CCCCCCCC(CC)S(=O)(=O)C1CC(C(C(C1(S(=O)(=O)C(CC)CCCCCCC)S(=O)(=O)C(CC)CCCCCCC)(S(=O)(=O)C(CC)CCCCCCC)S(=O)(=O)C(CC)CCCCCCC)(S(=O)(=O)C(CC)CCCCCCC)S(=O)(=O)C(CC)CCCCCCC)(O)S(=O)(=O)C(CC)CCCCCCC

InChI

InChI=1S/C86H172O17S8/c1-17-33-41-49-57-65-74(25-9)104(88,89)82-73-83(87,105(90,91)75(26-10)66-58-50-42-34-18-2)85(108(96,97)78(29-13)69-61-53-45-37-21-5,109(98,99)79(30-14)70-62-54-46-38-22-6)86(110(100,101)80(31-15)71-63-55-47-39-23-7,111(102,103)81(32-16)72-64-56-48-40-24-8)84(82,106(92,93)76(27-11)67-59-51-43-35-19-3)107(94,95)77(28-12)68-60-52-44-36-20-4/h74-82,87H,17-73H2,1-16H3