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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
Mol Weight 558.6 g/mol
Molecular Formula C28H30O10S
Exact Mass 558.155968 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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
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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