5-[5-(3,6,9,12-tetraoxa-18-azabicyclo[12.3.1]octadeca-1(17),14(18),15-trien-16-yl)-2-thienyl]benzene-1,3-dicarboxylic acid

SpectraBase Compound ID	6MmgvSr2JWg
InChI	InChI=1S/C25H25NO8S/c27-24(28)18-9-16(10-19(11-18)25(29)30)22-1-2-23(35-22)17-12-20-14-33-7-5-31-3-4-32-6-8-34-15-21(13-17)26-20/h1-2,9-13H,3-8,14-15H2,(H,27,28)(H,29,30)
InChIKey	WSOQJDTVGSOJSF-UHFFFAOYSA-N Google Search
Mol Weight	499.53 g/mol
Molecular Formula	C25H25NO8S
Exact Mass	499.130088 g/mol

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SpectraBase Spectrum ID	2jBGV5R3h0
Name	5-[5-(3,6,9,12-tetraoxa-18-azabicyclo[12.3.1]octadeca-1(17),14(18),15-trien-16-yl)-2-thienyl]benzene-1,3-dicarboxylic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H25NO8S
InChI	InChI=1S/C25H25NO8S/c27-24(28)18-9-16(10-19(11-18)25(29)30)22-1-2-23(35-22)17-12-20-14-33-7-5-31-3-4-32-6-8-34-15-21(13-17)26-20/h1-2,9-13H,3-8,14-15H2,(H,27,28)(H,29,30)
InChIKey	WSOQJDTVGSOJSF-UHFFFAOYSA-N
Molecular Weight	499.534 g/mol
SMILES	OC(c1cc(cc(C(=O)O)c1)-c1sc(-c2cc3COCCOCCOCCOCc(n3)c2)cc1)=O
SPLASH	splash10-03xr-0009200000-8e5179fc5e25b8b4a0ae
Source of Spectrum	KC-0-1747-17
Synonyms	5-[5-(3,6,9,12-tetraoxa-18-azabicyclo[12.3.1]octadeca-1(17),14(18),15-trien-16-yl)-2-thienyl]isophthalic acid 5-[5-(3,6,9,12-tetraoxa-18-azabicyclo[12.3.1]octadeca-1(17),14(18),15-trien-16-yl)-2-thiophenyl]benzene-1,3-dicarboxylic acid 5-[5-(3,6,9,12-tetraoxa-18-azabicyclo[12.3.1]octadeca-1(17),14(18),15-trien-16-yl)thiophen-2-yl]benzene-1,3-dicarboxylic acid
Wiley ID	828282