Diethyl 2-[bis(benzenesulfonyl)methylsulfanyl]propanedioate
Basic information
- CAS
75305-40-7- Standard SMILES
CCOC(=O)C(SC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)C(=O)OCC- InChIKey
UXOWXEAYQGELQZ-UHFFFAOYSA-N- Molecular formula
- C20H22O8S3
- Average molar mass
- 486.6 g/mol
- Monoisotopic mass
- 486.04768118
Names & identifiers
- Preferred name
- Diethyl 2-[bis(benzenesulfonyl)methylsulfanyl]propanedioate
- IUPAC
- diethyl 2-[bis(benzenesulfonyl)methylsulfanyl]propanedioate
Names & synonyms
75305-40-7diethyl 2-[bis(benzenesulfonyl)methylsulfanyl]propanedioateNSC289797DTXSID70314909NSC-289797Diethyl {[di(benzenesulfonyl)methyl]sulfanyl}propanedioate
Database identifiers
- CAS
75305-40-7- PubChem CID
- 324429
- DTXSID
DTXSID70314909
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 732
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Related reactions
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Compound notes
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