4-Nitrophenyl 4'-isobutyl-2-biphenylsulphonate

HCID 18704792
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Basic information

Standard SMILES
CC(C)Cc1ccc(-c2ccccc2S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)cc1
InChIKey
RIKWZHVYIBIJMI-UHFFFAOYSA-N
Molecular formula
C22H21NO5S
Average molar mass
411.5 g/mol
Monoisotopic mass
411.11404394

Names & identifiers

Preferred name
4-Nitrophenyl 4'-isobutyl-2-biphenylsulphonate
IUPAC
(4-nitrophenyl) 2-[4-(2-methylpropyl)phenyl]benzenesulfonate

Names & synonyms

SCHEMBL8058113RIKWZHVYIBIJMI-UHFFFAOYSA-N4-nitrophenyl 4'-isobutyl-2-biphenylsulphonate

Database identifiers

PubChem CID
18704792

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
97.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
29

Related reactions

7 records
New reaction record

Compound notes

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