Basic information
- CAS
87298-94-0- Standard SMILES
O=C(O)CS(=O)(=O)c1ccc(Cl)cc1.OCCN(CCO)CCO- InChIKey
JOFJRFDUTKHYFY-UHFFFAOYSA-N- Molecular formula
- C14H22ClNO7S
- Average molar mass
- 383.8 g/mol
- Monoisotopic mass
- 383.0805509
Names & identifiers
- Preferred name
- Acetic acid, ((p-chlorophenyl)sulfonyl)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)
- IUPAC
- 2-[bis(2-hydroxyethyl)amino]ethanol;2-(4-chlorophenyl)sulfonylacetic acid
Names & synonyms
87298-94-0((p-Chlorophenyl)sulfonyl)acetic acid 2,2',2''-nitrilotriethanol saltDTXSID80236264RefChem:316085DTXCID80158755(4-Chlorobenzene-1-sulfonyl)acetic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)
Database identifiers
- CAS
87298-94-0- PubChem CID
- 55679
- DTXSID
DTXSID80236264
Properties
Computed structural properties
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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