Butanedioic acid, 2-sulfo-, 4-[2-[[(9Z,12R)-12-hydroxy-1-oxo-9-octadecen-1-yl]amino]ethyl] ester, sodium salt (1:2)
CAS Registry Number®
67893-42-9
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CAS Name
Butanedioic acid, 2-sulfo-, 4-[2-[[(9Z,12R)-12-hydroxy-1-oxo-9-octadecen-1-yl]amino]ethyl] ester, sodium salt (1:2)Molecular Formula
C24H43NO9S.2NaCite this Page
Butanedioic acid, 2-sulfo-, 4-[2-[[(9Z,12R)-12-hydroxy-1-oxo-9-octadecen-1-yl]amino]ethyl] ester, sodium salt (1:2). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=67893-42-9 (retrieved ) (CAS RN: 67893-42-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C24H43NO9S.2Na/c1-2-3-4-11-14-20(26)15-12-9-7-5-6-8-10-13-16-22(27)25-17-18-34-23(28)19-21(24(29)30)35(31,32)33;;/h9,12,20-21,26H,2-8,10-11,13-19H2,1H3,(H,25,27)(H,29,30)(H,31,32,33);;/b12-9-;;/t20-,21?;;/m1../s1
InChIKey
InChIKey=ALPCKXOZGOZMBZ-XODZLFDTSA-N
SMILES
C(CC(OCCNC(CCCCCCC/C=C\C[C@@H](CCCCCC)O)=O)=O)(S(=O)(=O)O)C(O)=O.[Na]
Canonical SMILES
[Na].O=C(OCCNC(=O)CCCCCCCC=CCC(O)CCCCCC)CC(C(=O)O)S(=O)(=O)O
Other Names for this Substance
- Butanedioic acid, 2-sulfo-, 4-[2-[[(9Z,12R)-12-hydroxy-1-oxo-9-octadecen-1-yl]amino]ethyl] ester, sodium salt (1:2)
- Butanedioic acid, sulfo-, 4-[2-[[(9Z,12R)-12-hydroxy-1-oxo-9-octadecenyl]amino]ethyl] ester, , disodium salt
