| SpectraBase Spectrum ID |
HaWoV8ST318 |
| Name |
bis[4'-(Hexyloxy)-[1,1'-biphenyl-4-yl] tricyclo[8.2.2.2(4,7)]hexadeca-4,6,10,12,13,15-hexaene-5,15-dicarboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
800.407689517 u |
| Formula |
C54H56O6 |
| InChI |
InChI=1S/C54H56O6/c1-3-5-7-9-35-57-47-27-19-41(20-28-47)43-23-31-49(32-24-43)59-53(55)51-37-46-18-16-40-13-11-39(12-14-40)15-17-45(51)38-52(46)54(56)60-50-33-25-44(26-34-50)42-21-29-48(30-22-42)58-36-10-8-6-4-2/h11-14,19-34,37-38H,3-10,15-18,35-36H2,1-2H3 |
| InChIKey |
ZCTTUWHYAORHHR-UHFFFAOYSA-N |
| Molecular Weight |
801.036 g/mol |
| SMILES |
C(C=1C2=CC(C(OC3=CC=C(C=C3)C3=CC=C(C=C3)OCCCCCC)=O)=C(C1)CCC1=CC=C(CC2)C=C1)(OC1=CC=C(C=C1)C1=CC=C(C=C1)OCCCCCC)=O |
![bis[4'-(Hexyloxy)-[1,1'-biphenyl-4-yl] tricyclo[8.2.2.2(4,7)]hexadeca-4,6,10,12,13,15-hexaene-5,15-dicarboxylate](/api/spectrum/HaWoV8ST318/structure.png?h=300&w=458 "bis[4'-(Hexyloxy)-[1,1'-biphenyl-4-yl] tricyclo[8.2.2.2(4,7)]hexadeca-4,6,10,12,13,15-hexaene-5,15-dicarboxylate")
