Basic information
- CAS
18067-31-7- Standard SMILES
Cc1ncoc1CCl.Cc1ncoc1CCl.O=S(=O)(O)CCS(=O)(=O)O- InChIKey
UULQYTJKALLOJO-UHFFFAOYSA-N- Molecular formula
- C12H18Cl2N2O8S2
- Average molar mass
- 453.3 g/mol
- Monoisotopic mass
- 451.9881633
Names & identifiers
- Preferred name
- 1,2-Ethanedisulfonic acid, compd. with 5-(chloromethyl)-4-methyloxazole (1:2)
- IUPAC
- bis(5-(chloromethyl)-4-methyl-1,3-oxazole);ethane-1,2-disulfonic acid
- English name
- ethane-1,2-disulfonic acid
- Molecular formula
- C12H18Cl2N2O8S2
- Molecular weight
- 0
Names & synonyms
18067-31-7RefChem:1052374DTXSID109393725-(chloromethyl)-4-methyl-1,3-oxazole;ethane-1,2-disulfonic acidEthane-1,2-disulfonic acid--5-(chloromethyl)-4-methyl-1,3-oxazole (1/2)ethane-1,2-disulfonic acid5-(chloromethyl)-4-methyl-1,3-oxazole
Database identifiers
- CAS
18067-31-7- PubChem CID
- 205484
- DTXSID
DTXSID10939372
Properties
Computed structural properties
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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