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Hexa(tetradecane-1-sulfonyl)benzene

HCID 20146809
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Basic information

CAS
93094-44-1
Standard SMILES
CCCCCCCCCCCCCCS(=O)(=O)c1c(S(=O)(=O)CCCCCCCCCCCCCC)c(S(=O)(=O)CCCCCCCCCCCCCC)c(S(=O)(=O)CCCCCCCCCCCCCC)c(S(=O)(=O)CCCCCCCCCCCCCC)c1S(=O)(=O)CCCCCCCCCCCCCC
InChIKey
QZMLULCOKQHYMB-UHFFFAOYSA-N
Molecular formula
C90H174O12S6
Average molar mass
1,640.7 g/mol
Monoisotopic mass
1,639.13295802

Names & identifiers

Preferred name
Hexa(tetradecane-1-sulfonyl)benzene
IUPAC
1,2,3,4,5,6-hexakis(tetradecylsulfonyl)benzene

Names & synonyms

93094-44-1Hexa(tetradecane-1-sulfonyl)benzeneSCHEMBL10631598DTXSID50602957

Database identifiers

CAS
93094-44-1
PubChem CID
20146809
DTXSID
DTXSID50602957

Properties

Computed structural properties

XLogP
37.3
Topological polar surface area
255 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
12
Rotatable bonds
84
Heavy atoms
108
Formal charge
0
Complexity
2,210

Related reactions

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Compound notes

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