(15S,16R)-15,16-bis[(4-methylphenyl)sulfonylmethyl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
Basic information
- CAS
7152-30-9- Standard SMILES
Cc1ccc(S(=O)(=O)C[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2CS(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
YHLVJGVQZXYZJL-KCQVGWNLSA-N- Molecular formula
- C32H30O4S2
- Average molar mass
- 542.7 g/mol
- Monoisotopic mass
- 542.15855178
Names & identifiers
- Preferred name
- (15S,16R)-15,16-bis[(4-methylphenyl)sulfonylmethyl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
- IUPAC
- (15S,16R)-15,16-bis[(4-methylphenyl)sulfonylmethyl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
Names & synonyms
NSC22096NSC-220967152-30-9
Database identifiers
- CAS
7152-30-9- PubChem CID
- 228913
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 916
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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