Basic information
- CAS
7460-97-1- Standard SMILES
CCSC(SCC)C(OC(=O)c1ccccc1)C(OC(=O)c1ccccc1)C(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)c1ccccc1- InChIKey
BVYKGHZYZAIEFI-UHFFFAOYSA-N- Molecular formula
- C49H46O7S2
- Average molar mass
- 811 g/mol
- Monoisotopic mass
- 810.26849615
Names & identifiers
- Preferred name
- [3,4-Dibenzoyloxy-5,5-bis(ethylsulfanyl)-1-trityloxypentan-2-yl] benzoate
- IUPAC
- [3,4-dibenzoyloxy-5,5-bis(ethylsulfanyl)-1-trityloxypentan-2-yl] benzoate
Names & synonyms
7460-97-1NSC404269DTXSID40323548NSC-4042692,4-Bis(benzoyloxy)-1,1-bis(ethylsulfanyl)-5-(triphenylmethoxy)pentan-3-yl benzoate
Database identifiers
- CAS
7460-97-1- PubChem CID
- 346166
- DTXSID
DTXSID40323548
Properties
Computed structural properties
- XLogP
- 11.8
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 22
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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