8,10,14-Trioxa-5-aza-9-phosphadotriacont-23-enoic acid, 9-hydroxy-4,15-dioxo-12-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-, 9-oxide, sodium salt (1:1), (12R,23Z)-
CAS Registry Number®
111613-33-3
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CAS Name
8,10,14-Trioxa-5-aza-9-phosphadotriacont-23-enoic acid, 9-hydroxy-4,15-dioxo-12-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-, 9-oxide, sodium salt (1:1), (12R,23Z)-Molecular Formula
C45H82NO11P.NaCite this Page
8,10,14-Trioxa-5-aza-9-phosphadotriacont-23-enoic acid, 9-hydroxy-4,15-dioxo-12-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-, 9-oxide, sodium salt (1:1), (12R,23Z)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=111613-33-3 (retrieved ) (CAS RN: 111613-33-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C45H82NO11P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-44(50)54-39-41(40-56-58(52,53)55-38-37-46-42(47)35-36-43(48)49)57-45(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,41H,3-16,21-40H2,1-2H3,(H,46,47)(H,48,49)(H,52,53);/b19-17-,20-18-;/t41-;/m1./s1
InChIKey
InChIKey=AUORULBPYOKQGA-NFCDTPQPSA-N
SMILES
[C@@H](COP(OCCNC(CCC(O)=O)=O)(=O)O)(OC(CCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCCC)=O.[Na]
Canonical SMILES
[Na].O=C(O)CCC(=O)NCCOP(=O)(O)OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC
Other Names for this Substance
- 8,10,14-Trioxa-5-aza-9-phosphadotriacont-23-enoic acid, 9-hydroxy-4,15-dioxo-12-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-, 9-oxide, sodium salt (1:1), (12R,23Z)-
- 8,10,14-Trioxa-5-aza-9-phosphadotriacont-23-enoic acid, 9-hydroxy-4,15-dioxo-12-[(1-oxo-9-octadecenyl)oxy]-, 9-oxide, monosodium salt, [R-(Z,Z)]-