beta-Retinyl sulfone
Basic information
- CAS
58970-49-3- Standard SMILES
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CS(=O)(=O)C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1- InChIKey
OSIGMVXDADMUGI-XBWCUBMNSA-N- Molecular formula
- C40H58O2S
- Average molar mass
- 603 g/mol
- Monoisotopic mass
- 602.41575226
Names & identifiers
- Preferred name
- beta-Retinyl sulfone
- IUPAC
- 2-[(1E,3E,5E,7E)-9-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]sulfonyl-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
Names & synonyms
beta-Retinyl sulfone58970-49-3Cyclohexene, 1,1'-(sulfonylbis(3,7-dimethyl-1,3,5,7-nonatetraene-9,1-diyl)bis(2,6,6-trimethyl-, (all-E)-
Database identifiers
- CAS
58970-49-3- PubChem CID
- 6440201
Properties
Computed structural properties
- XLogP
- 11.9
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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