5-[5-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2-thienyl]benzene-1,3-dicarboxylic acid

SpectraBase Compound ID	D9CUJSKE6BR
InChI	InChI=1S/C28H30O10S/c29-27(30)21-15-20(16-22(17-21)28(31)32)26-4-3-25(39-26)19-1-2-23-24(18-19)38-14-12-36-10-8-34-6-5-33-7-9-35-11-13-37-23/h1-4,15-18H,5-14H2,(H,29,30)(H,31,32)
InChIKey	GJHCYPAUNYAYSN-UHFFFAOYSA-N Google Search
Mol Weight	558.6 g/mol
Molecular Formula	C28H30O10S
Exact Mass	558.155968 g/mol

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SpectraBase Spectrum ID	2iSwQtAlWa
Name	5-[5-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2-thienyl]benzene-1,3-dicarboxylic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H30O10S
InChI	InChI=1S/C28H30O10S/c29-27(30)21-15-20(16-22(17-21)28(31)32)26-4-3-25(39-26)19-1-2-23-24(18-19)38-14-12-36-10-8-34-6-5-33-7-9-35-11-13-37-23/h1-4,15-18H,5-14H2,(H,29,30)(H,31,32)
InChIKey	GJHCYPAUNYAYSN-UHFFFAOYSA-N
Molecular Weight	558.598 g/mol
SMILES	OC(c1cc(C(=O)O)cc(c1)-c1ccc(s1)-c1cc2OCCOCCOCCOCCOCCOc2cc1)=O
SPLASH	splash10-000t-9007030000-5538898ae2e9d795c1b5
Source of Spectrum	KC-0-1579-14
Synonyms	5-[5-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2-thienyl]isophthalic acid 5-[5-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2-thiophenyl]benzene-1,3-dicarboxylic acid 5-[5-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)thiophen-2-yl]benzene-1,3-dicarboxylic acid
Wiley ID	825282