Basic information
- CAS
102582-96-7- Standard SMILES
O=C(O)CS(=O)(=O)c1ccc(Cl)cc1Cl.OCCN(CCO)CCO- InChIKey
VFLJQTRTWFKESS-UHFFFAOYSA-N- Molecular formula
- C14H21Cl2NO7S
- Average molar mass
- 418.3 g/mol
- Monoisotopic mass
- 417.0415786
Names & identifiers
- Preferred name
- Acetic acid, ((2,4-dichlorophenyl)sulfonyl)-, compd. with 2,2',2''-nitrilotrisethanol (1:1)
- IUPAC
- 2-[bis(2-hydroxyethyl)amino]ethanol;2-(2,4-dichlorophenyl)sulfonylacetic acid
- English name
- 2-(bis(2-hydroxyethyl)amino)ethanol, 2-(2,4-dichlorophenyl)sulfonylace tic acid
- Molecular formula
- C14H21Cl2NO7S
- Molecular weight
- 0
Names & synonyms
102582-96-7((2,4-Dichlorophenyl)sulfonyl)acetic acid triethanolamineDTXSID30145291RefChem:315890DTXCID30677822-[bis(2-hydroxyethyl)amino]ethanol;2-(2,4-dichlorophenyl)sulfonylacetic acid(2,4-Dichlorobenzene-1-sulfonyl)acetic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)2-(2,4-dichlorophenyl)sulfonylacetic acid2-(bis(2-hydroxyethyl)amino)ethanol, 2-(2,4-dichlorophenyl)sulfonylace tic acid
Database identifiers
- CAS
102582-96-7- PubChem CID
- 59548
- DTXSID
DTXSID30145291
Properties
Computed structural properties
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 391
Chemistry & industry
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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