Basic information
- CAS
831204-41-2- Standard SMILES
O=S(=O)(OC1CCCCC1(O)c1ccccc1)c1ccc(S(=O)(=O)OC2CCCCC2(O)c2ccccc2)cc1- InChIKey
KJYXYQSSGCVFBL-UHFFFAOYSA-N- Molecular formula
- C30H34O8S2
- Average molar mass
- 586.7 g/mol
- Monoisotopic mass
- 586.16951039
Names & identifiers
- Preferred name
- Bis(2-hydroxy-2-phenylcyclohexyl) benzene-1,4-disulfonate
- IUPAC
- bis(2-hydroxy-2-phenylcyclohexyl) benzene-1,4-disulfonate
Names & synonyms
831204-41-2Bis(2-hydroxy-2-phenylcyclohexyl) benzene-1,4-disulfonateDTXSID00835713
Database identifiers
- CAS
831204-41-2- PubChem CID
- 71416319
- DTXSID
DTXSID00835713
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 947
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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