Basic information
- CAS
6330-06-9- Standard SMILES
N#CCCC(CCCc1ccccc1)(S(=O)(=O)Cc1ccccc1)S(=O)(=O)Cc1ccccc1- InChIKey
FOCHMETZISRRKI-UHFFFAOYSA-N- Molecular formula
- C27H29NO4S2
- Average molar mass
- 495.7 g/mol
- Monoisotopic mass
- 495.15380075
Names & identifiers
- Preferred name
- 4,4-Bis(benzylsulfonyl)-7-phenylheptanenitrile
- IUPAC
- 4,4-bis(benzylsulfonyl)-7-phenylheptanenitrile
Names & synonyms
6330-06-94,4-bis(benzylsulfonyl)-7-phenylheptanenitrileNSC47120DTXSID10286737NSC-471207-Phenyl-4,4-bis(phenylmethanesulfonyl)heptanenitrile
Database identifiers
- CAS
6330-06-9- PubChem CID
- 240686
- DTXSID
DTXSID10286737
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 808
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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