Benzaldehyde, 3,4-bis[[(4-methylphenyl)sulfonyl]oxy]-
Basic information
- CAS
175021-90-6- Standard SMILES
Cc1ccc(S(=O)(=O)Oc2ccc(C=O)cc2OS(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
PDMLXEUFIJDWRZ-UHFFFAOYSA-N- Molecular formula
- C21H18O7S2
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.04939526
Names & identifiers
- Preferred name
- Benzaldehyde, 3,4-bis[[(4-methylphenyl)sulfonyl]oxy]-
- IUPAC
- [4-formyl-2-(4-methylphenyl)sulfonyloxyphenyl] 4-methylbenzenesulfonate
Names & synonyms
175021-90-6Benzaldehyde, 3,4-bis[[(4-methylphenyl)sulfonyl]oxy]-[4-formyl-2-(4-methylphenyl)sulfonyloxyphenyl] 4-methylbenzenesulfonate3,4-Ditosyloxy-benzaldehydeSCHEMBL9155140DTXSID20343921AKOS0015718874-Formyl-1,2-phenylene bis(4-methylbenzene-1-sulfonate)[4-formyl-2-(4-toluenesulfonyloxy)-phenyl]-4-toluenesulfonate4-formyl-2-[(4-methylbenzenesulfonyl)oxy]phenyl 4-methylbenzene-1-sulfonate5-Formyl-2-([(4-methylphenyl)sulfonyl]oxy)phenyl 4-methylbenzenesulfonate #
Database identifiers
- CAS
175021-90-6- PubChem CID
- 593164
- DTXSID
DTXSID20343921
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 765
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Related reactions
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Compound notes
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