Basic information
- CAS
61772-02-9- Standard SMILES
C#CCCCC(Cc1ccccc1)(Cc1ccccc1)S(=O)(=O)c1ccccc1- InChIKey
JPTXBICFUYMRFX-UHFFFAOYSA-N- Molecular formula
- C26H26O2S
- Average molar mass
- 402.5 g/mol
- Monoisotopic mass
- 402.16535124
Names & identifiers
- Preferred name
- [2-(Benzenesulfonyl)-2-benzylhept-6-yn-1-yl]benzene
- IUPAC
- [2-(benzenesulfonyl)-2-benzylhept-6-ynyl]benzene
Names & synonyms
61772-02-9[2-(Benzenesulfonyl)-2-benzylhept-6-yn-1-yl]benzeneDTXSID00513201
Database identifiers
- CAS
61772-02-9- PubChem CID
- 12928124
- DTXSID
DTXSID00513201
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 597
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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