CID 299904
Basic information
- CAS
36439-63-1- Standard SMILES
Cc1ccc(S(=O)(=O)OCC2C3C=CC(C4C=CC43)C2COS(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
JWRYZBIHAGRYPJ-UHFFFAOYSA-N- Molecular formula
- C26H28O6S2
- Average molar mass
- 500.6 g/mol
- Monoisotopic mass
- 500.13273096
Names & identifiers
- Preferred name
- CID 299904
- IUPAC
- [8-[(4-methylphenyl)sulfonyloxymethyl]-7-tricyclo[4.2.2.02,5]deca-3,9-dienyl]methyl 4-methylbenzenesulfonate
Names & synonyms
NSC17376436439-63-1DTXSID70306046NSC-173764(Tricyclo[4.2.2.0~2,5~]deca-3,9-diene-7,8-diyl)bis(methylene) bis(4-methylbenzene-1-sulfonate)[8-[(4-Methylphenyl)sulfonyloxymethyl]-7-tricyclo[4.2.2.02,5]deca-3,9-dienyl]methyl 4-methylbenzenesulfonate
Database identifiers
- CAS
36439-63-1- PubChem CID
- 299904
- DTXSID
DTXSID70306046
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 909
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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