Basic information
- CAS
22974-35-2- Standard SMILES
CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1cccc([N+](=O)[O-])c1- InChIKey
PUASMJZCKYGRMS-UHFFFAOYSA-N- Molecular formula
- C12H18N2O8S2
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.05045788
Names & identifiers
- Preferred name
- [(3-Nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate
- IUPAC
- 2-[N-(2-methylsulfonyloxyethyl)-3-nitroanilino]ethyl methanesulfonate
Names & synonyms
22974-35-2[(3-nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonateNSC100774CHEMBL3247498DTXSID60295253NSC-100774Ethanol,2'-[(m-nitrophenyl)imino]di-, dimethanesulfonate ester[(3-Nitrophenyl)azanediyl]di(ethane-2,1-diyl) dimethanesulfonateEthanol,2'-[(3-nitrophenyl)imino]bis-, dimethanesulfonate ester
Database identifiers
- CAS
22974-35-2- PubChem CID
- 265010
- DTXSID
DTXSID60295253- ChEMBL
CHEMBL3247498
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 564
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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