4,7-Diazoniadispiro[3.2.37.24]dodecane-2,9-diol;4-methylbenzenesulfonate
Basic information
- CAS
3314-08-7- Standard SMILES
Cc1ccc(S(=O)(=O)[O-])cc1.OC1C[N+]2(CC[N+]3(CC2)CC(O)C3)C1- InChIKey
FOCMDMZRPDSULT-UHFFFAOYSA-M- Molecular formula
- C17H27N2O5S+
- Average molar mass
- 371.5 g/mol
- Monoisotopic mass
- 371.16406814
Names & identifiers
- Preferred name
- 4,7-Diazoniadispiro[3.2.37.24]dodecane-2,9-diol;4-methylbenzenesulfonate
- IUPAC
- 4,7-diazoniadispiro[3.2.37.24]dodecane-2,9-diol;4-methylbenzenesulfonate
Names & synonyms
3314-08-7DTXSID40712711NSC5284004,7-diazoniadispiro[3.2.37.24]dodecane-2,9-diol;4-methylbenzenesulfonateNSC-528400
Database identifiers
- CAS
3314-08-7- PubChem CID
- 54599313
- DTXSID
DTXSID40712711
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 1
- Complexity
- 400
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Related reactions
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Compound notes
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