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

Systemtic Name: 1,1,2,2,3,3,4,4-octakis(decan-4-ylsulfonyl)butan-1-ol Openeye Name: 1,1,2,2,3,3,4,4-octakis(1-propylheptylsulfonyl)butan-1-ol CAS Name: 1,1,2,2,3,3,4,4-octakis(decan-4-ylsulfonyl)-1-butanol IUPAC Name: 1,1,2,2,3,3,4,4-octakis(decan-4-ylsulfonyl)butan-1-ol Traditional Name: 1,1,2,2,3,3,4,4-octakis(1-propylheptylsulfonyl)butan-1-ol Formula: C84H170O17S8 MolecularWeight: 1708.7584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCC)S(=O)(=O)C(C(C(C(O)(S(=O)(=O)C(CCC)CCCCCC)S(=O)(=O)C(CCC)CCCCCC)(S(=O)(=O)C(CCC)CCCCCC)S(=O)(=O)C(CCC)CCCCCC)(S(=O)(=O)C(CCC)CCCCCC)S(=O)(=O)C(CCC)CCCCCC)S(=O)(=O)C(CCC)CCCCCC

Isomeric SMILES

CCCCCCC(CCC)S(=O)(=O)C(C(C(C(O)(S(=O)(=O)C(CCC)CCCCCC)S(=O)(=O)C(CCC)CCCCCC)(S(=O)(=O)C(CCC)CCCCCC)S(=O)(=O)C(CCC)CCCCCC)(S(=O)(=O)C(CCC)CCCCCC)S(=O)(=O)C(CCC)CCCCCC)S(=O)(=O)C(CCC)CCCCCC

InChI

InChI=1S/C84H170O17S8/c1-17-33-41-49-65-73(57-25-9)102(86,87)81(103(88,89)74(58-26-10)66-50-42-34-18-2)82(104(90,91)75(59-27-11)67-51-43-35-19-3,105(92,93)76(60-28-12)68-52-44-36-20-4)83(106(94,95)77(61-29-13)69-53-45-37-21-5,107(96,97)78(62-30-14)70-54-46-38-22-6)84(85,108(98,99)79(63-31-15)71-55-47-39-23-7)109(100,101)80(64-32-16)72-56-48-40-24-8/h73-81,85H,17-72H2,1-16H3