| SpectraBase Spectrum ID |
YO1R0eoUNy |
| Name |
Dimethyl 5-{5-[21-{5-[(3,5-dimethoxycarbonyl)phenyl]-2-thienyl}-3,6,14,17-tetraoxa-23,24-diazatricyclo[17.3.1.1(8,12)]tetracosa-1(23),8(24),9,11,19,21-hexaen-10-yl]-2-thienyl}isophthalate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C46H42N2O12S2 |
| InChI |
InChI=1S/C46H42N2O12S2/c1-53-43(49)31-13-27(14-32(17-31)44(50)54-2)39-5-7-41(61-39)29-19-35-23-57-9-11-59-25-37-21-30(22-38(48-37)26-60-12-10-58-24-36(20-29)47-35)42-8-6-40(62-42)28-15-33(45(51)55-3)18-34(16-28)46(52)56-4/h5-8,13-22H,9-12,23-26H2,1-4H3 |
| InChIKey |
HTVNYWKWPMLNLZ-UHFFFAOYSA-N |
| Molecular Weight |
878.964 g/mol |
| SMILES |
c1(sc(cc1)-c1cc2COCCOCc3cc(-c4sc(-c5cc(C(=O)OC)cc(c5)C(=O)OC)cc4)cc(n3)COCCOCc(n2)c1)-c1cc(C(=O)OC)cc(c1)C(=O)OC |
| SPLASH |
splash10-0002-0009000020-18bc681d14944865464e |
| Source of Spectrum |
KC-0-1747-16 |
| Synonyms |
1,3-Dimethyl 5-[5-(21-{5-[3,5-bis(methoxycarbonyl)phenyl]thiophen-2-yl}-3,6,14,17-tetraoxa-23,24-diazatricyclo[17.3.1.1(8,12)]tetracosa-1(23),8,10,12(24),19,21-hexaen-10-yl)thiophen-2-yl]benzene-1,3-dicarboxylate |
| Wiley ID |
828283 |
![DIMETHYL-5-[5-(21-[5-[3,5-DI-(METHOXYCARBONYL)-PHENYL]-2-THIENYL]-3,6,14,17-TETRAOXA-23,24-DIAZATRICYCLO-[17.3.1.1(8,12)]-TETRACOSA-1(23),8(24),9](/api/spectrum/YO1R0eoUNy/structure.png?h=300&w=458 "DIMETHYL-5-[5-(21-[5-[3,5-DI-(METHOXYCARBONYL)-PHENYL]-2-THIENYL]-3,6,14,17-TETRAOXA-23,24-DIAZATRICYCLO-[17.3.1.1(8,12)]-TETRACOSA-1(23),8(24),9")
