2,2',2'',2'''-{Sulfonylbis[(2-nitro-4,1-phenylene)nitrilo]}tetraethanol
Basic information
- CAS
6941-57-7- Standard SMILES
O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(N(CCO)CCO)c([N+](=O)[O-])c2)ccc1N(CCO)CCO- InChIKey
YGVZLUGOCAEMKY-UHFFFAOYSA-N- Molecular formula
- C20H26N4O10S
- Average molar mass
- 514.5 g/mol
- Monoisotopic mass
- 514.13696421
Names & identifiers
- Preferred name
- 2,2',2'',2'''-{Sulfonylbis[(2-nitro-4,1-phenylene)nitrilo]}tetraethanol
- IUPAC
- 2-[4-[4-[bis(2-hydroxyethyl)amino]-3-nitrophenyl]sulfonyl-N-(2-hydroxyethyl)-2-nitroanilino]ethanol
Names & synonyms
NSC407656941-57-72,2',2'',2'''-{Sulfonylbis[(2-nitro-4,1-phenylene)nitrilo]}tetraethanolDTXSID30285161NSC-407652,2',2'',2'''-{Sulfonylbis[(2-nitro-4,1-phenylene)nitrilo]}tetra(ethan-1-ol)2-[4-[4-[bis(2-hydroxyethyl)amino]-3-nitro-phenyl]sulfonyl-N-(2-hydroxyethyl)-2-nitro-anilino]ethanol
Database identifiers
- CAS
6941-57-7- PubChem CID
- 237349
- DTXSID
DTXSID30285161
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 222 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 714
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Compound notes
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