Butanedioic acid, 2-sulfo-, 1,4-dinonyl ester, ammonium salt (1:1)
Basic information
- CAS
27501-55-9- Standard SMILES
CCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCC)S(=O)(=O)O.N- InChIKey
PIKODYZXFHKWFW-UHFFFAOYSA-N- Molecular formula
- C22H42O7S.H3N
- Average molar mass
- 467.7 g/mol
- Monoisotopic mass
- 467.29167395
Names & identifiers
- Preferred name
- Butanedioic acid, 2-sulfo-, 1,4-dinonyl ester, ammonium salt (1:1)
- IUPAC
- azane;1,4-di(nonoxy)-1,4-dioxobutane-2-sulfonic acid
Names & synonyms
27501-55-9EINECS 248-501-5Sulfobutanedioic acid, 1,4-dinonyl ester, ammonium saltButanedioic acid, sulfo-, 1,4-dinonyl ester, ammonium saltButanedioic acid, 2-sulfo-, 1,4-dinonyl ester, ammonium salt (1:1)RefChem:122050Ammonium 1,4-dinonyl sulphonatosuccinateSCHEMBL3358729DTXSID90950186PIKODYZXFHKWFW-UHFFFAOYSA-Nazane;1,4-di(nonoxy)-1,4-dioxobutane-2-sulfonic acid1,4-Bis(nonyloxy)-1,4-dioxobutane-2-sulfonic acid--ammonia (1/1)
Database identifiers
- CAS
27501-55-9- PubChem CID
- 119609
- DTXSID
DTXSID90950186- EC Number
- 248-501-5
Properties
Computed structural properties
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 22
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 540
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Butanedioic acid, sulfo-, 1,4-dinonyl ester, ammonium salt
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanedioic acid, 2-sulfo-, 1,4-dinonyl ester, ammonium salt (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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