2,4,6,8,10,12-Tridecahexaenoic acid, 13-(3-chloro-4-methoxyphenyl)-, 2-decyl-3-methoxy-5-pentylphenyl ester

SpectraBase Compound ID	6GDXvCz3JBV
InChI	InChI=1S/C42H55ClO4/c1-5-7-9-10-11-17-20-24-28-37-40(46-4)33-36(27-22-8-6-2)34-41(37)47-42(44)29-25-21-18-15-13-12-14-16-19-23-26-35-30-31-39(45-3)38(43)32-35/h12-16,18-19,21,23,25-26,29-34H,5-11,17,20,22,24,27-28H2,1-4H3/b14-12+,15-13+,19-16+,21-18+,26-23+,29-25+
InChIKey	QIRXTTTTYWWGMX-UEMYLURSSA-N Google Search
Mol Weight	659.4 g/mol
Molecular Formula	C42H55ClO4
Exact Mass	658.378888 g/mol

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SpectraBase Spectrum ID	JgmFn1QZguh
Name	2,4,6,8,10,12-Tridecahexaenoic acid, 13-(3-chloro-4-methoxyphenyl)-, 2-decyl-3-methoxy-5-pentylphenyl ester
Alternate Name(s)	2-Decyl-3-methoxy-5-pentylphenyl (2E,4E,6E,8E,10E,12E)-13-(3-chloro-4-methoxyphenyl)-2,4,6,8,10,12-tridecahexaenoate (2-decyl-3-methoxy-5-pentyl-phenyl) (2E,4E,6E,8E,10E,12E)-13-(3-chloranyl-4-methoxy-phenyl)trideca-2,4,6,8,10,12-hexaenoate (2-decyl-3-methoxy-5-pentyl-phenyl) (2E,4E,6E,8E,10E,12E)-13-(3-chloro-4-methoxy-phenyl)trideca-2,4,6,8,10,12-hexaenoate (2E,4E,6E,8E,10E,12E)-13-(3-chloro-4-methoxy-phenyl)trideca-2,4,6,8,10,12-hexaenoic acid (5-amyl-2-decyl-3-methoxy-phenyl) ester (2E,4E,6E,8E,10E,12E)-13-(3-chloro-4-methoxyphenyl)trideca-2,4,6,8,10,12-hexaenoic acid (2-decyl-3-methoxy-5-pentylphenyl) ester
CAS Registry Number	71142-32-0
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C42H55ClO4
InChI	InChI=1S/C42H55ClO4/c1-5-7-9-10-11-17-20-24-28-37-40(46-4)33-36(27-22-8-6-2)34-41(37)47-42(44)29-25-21-18-15-13-12-14-16-19-23-26-35-30-31-39(45-3)38(43)32-35/h12-16,18-19,21,23,25-26,29-34H,5-11,17,20,22,24,27-28H2,1-4H3/b14-12+,15-13+,19-16+,21-18+,26-23+,29-25+
InChIKey	QIRXTTTTYWWGMX-UEMYLURSSA-N
Molecular Weight	659.351 g/mol
SMILES	CCCCCCCCCCc1c(OC)cc(CCCCC)cc1OC(=O)\C=C\C=C\C=C\C=C\C=C\C=C\c1cc(Cl)c(OC)cc1
SPLASH	splash10-0a4i-0495002000-ad9e57f8b5ea5eb75286
Source of Spectrum	K-112-2004-0
Wiley ID	1413492