Diammonium (Z)-1-(octadec-9-enyl) 2-sulphonatosuccinate
Basic information
- CAS
94213-66-8- Standard SMILES
CCCCCCCC/C=C\CCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[NH4+].[NH4+]- InChIKey
LKLNYSNDEQIYNQ-XXAVUKJNSA-N- Molecular formula
- C22H46N2O7S
- Average molar mass
- 482.7 g/mol
- Monoisotopic mass
- 482.30257298
Names & identifiers
- Preferred name
- Diammonium (Z)-1-(octadec-9-enyl) 2-sulphonatosuccinate
- IUPAC
- diazanium;4-[(Z)-octadec-9-enoxy]-4-oxo-3-sulfonatobutanoate
- English name
- diammonium (Z)-1-(octadec-9-enyl) 2-sulphonatosuccinate
- Molecular formula
- C22H46N2O7S
- Molecular weight
- 482.67484
Names & synonyms
EINECS 303-771-494213-66-8Diammonium (Z)-1-(octadec-9-enyl) 2-sulphonatosuccinateRefChem:586236303-771-44-[(Z)-octadec-9-enoxy]-4-oxo-3-sulfonatobutanoateDiammonium (Z)-1-(octadec-9-enyl) 2-sulfonatosuccinate2-Sulfobutanedioic acid 2,4-diammonium 1-[(Z)-9-octadecenyl] ester salt
Database identifiers
- CAS
94213-66-8- PubChem CID
- 44153303
- EC Number
- 303-771-4
Properties
Computed structural properties
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 19
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 560
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Compound notes
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