| 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 |
| Alternate Name(s) |
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 |
| 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 |
| Wiley ID |
828282 |
![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](/api/spectrum/2jBGV5R3h0/structure.png?h=300&w=458 "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")
