Acetic acid, (phenylsulfonyl)-, compd. with 2,2',2''-nitrilotrisethanol (1:1)
Basic information
- CAS
102582-87-6- Standard SMILES
O=C(O)CS(=O)(=O)c1ccccc1.OCCN(CCO)CCO- InChIKey
GXLCWKVYXZJTBW-UHFFFAOYSA-N- Molecular formula
- C14H23NO7S
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.11952325
Names & identifiers
- Preferred name
- Acetic acid, (phenylsulfonyl)-, compd. with 2,2',2''-nitrilotrisethanol (1:1)
- IUPAC
- 2-(benzenesulfonyl)acetic acid;2-[bis(2-hydroxyethyl)amino]ethanol
Names & synonyms
102582-87-6(Phenylsulfonyl)acetic acid triethanolamineDTXSID00145283RefChem:316349DTXCID9067774(Benzenesulfonyl)acetic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)
Database identifiers
- CAS
102582-87-6- PubChem CID
- 59542
- DTXSID
DTXSID00145283
Properties
Computed structural properties
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 325
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…