Basic information
- CAS
97158-33-3- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[NH4+].[NH4+]- InChIKey
DRMZRZWNBSJZGR-UHFFFAOYSA-N- Molecular formula
- C26H55N3O9S
- Average molar mass
- 585.8 g/mol
- Monoisotopic mass
- 585.36590151
Names & identifiers
- Preferred name
- Diammonium 1-(2-((2-hydroxyethyl)(1-oxooctadecyl)amino)ethyl) 2-sulphonatosuccinate
- IUPAC
- diazanium;4-[2-[2-hydroxyethyl(octadecanoyl)amino]ethoxy]-4-oxo-3-sulfonatobutanoate
Names & synonyms
97158-33-3EINECS 306-363-4Diammonium 1-(2-((2-hydroxyethyl)(1-oxooctadecyl)amino)ethyl) 2-sulphonatosuccinateNS00065362Diammonium 1-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl]2-sulfonatosuccinateEINECS 306-363-4, Diammonium 1-(2-((2-hydroxyethyl)(1-oxooctadecyl)amino)ethyl) 2-sulphonatosuccinate, 97158-33-3
Database identifiers
- CAS
97158-33-3- PubChem CID
- 44150751
- EC Number
- 306-363-4
Properties
Computed structural properties
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 24
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 703
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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