Basic information
- CAS
71466-62-1- Standard SMILES
O=[N+]([O-])c1cc(C23CC4CC(CC(C4)C2)C3)ccc1S(=O)(=O)c1ccccc1- InChIKey
GIZDWWUFANSDRL-UHFFFAOYSA-N- Molecular formula
- C22H23NO4S
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.13477939
Names & identifiers
- Preferred name
- 1-[4-(Benzenesulfonyl)-3-nitrophenyl]tricyclo[3.3.1.1~3,7~]decane
- IUPAC
- 1-[4-(benzenesulfonyl)-3-nitrophenyl]adamantane
- English name
- 1-[3-Nitro-4-(phenylsulfonyl)phenyl]tricyclo[3.3.1.13,7]decane
- Molecular formula
- C22H23NO4S
- Molecular weight
- 397.49
Names & synonyms
DTXSID607025131-[4-(Benzenesulfonyl)-3-nitrophenyl]tricyclo[3.3.1.1~3,7~]decane71466-62-11-[4-(benzenesulfonyl)-3-nitrophenyl]adamantane1-(1-Adamantyl)-4-phenylsulfonyl-3-nitrobenzol1-[3-Nitro-4-(phenylsulfonyl)phenyl]tricyclo[3.3.1.13,7]decaneTricyclo[3.3.1.13,7]decane, 1-[3-nitro-4-(phenylsulfonyl)phenyl]-
Database identifiers
- CAS
71466-62-1- PubChem CID
- 53440366
- DTXSID
DTXSID60702513- Nikkaji
- J145.436F
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 675
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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