| SpectraBase Spectrum ID |
5nSUXF6adAV |
| Name |
5,36[1',2']:18,23[1'',2'']-dibenzeno-10,13:28,31-diethenodibenzo[A,Q]cyclodotriacontene, (E,E,E,E,Z,Z,Z,Z)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
712.313001288 u |
| Formula |
C56H40 |
| InChI |
InChI=1S/C56H40/c1-5-21-45-49-25-9-11-27-51(49)46(52-28-12-10-26-50(45)52)22-7-3-19-43-37-39-44(40-38-43)20-4-8-24-48-55-31-15-13-29-53(55)47(54-30-14-16-32-56(48)54)23-6-2-18-42-35-33-41(17-1)34-36-42/h1-40H/b5-1+,6-2+,7-3+,8-4+,17-1-,18-2-,19-3-,20-4-,21-5+,22-7+,23-6+,24-8+,41-17-,42-18-,43-19-,44-20-,45-21-,46-22-,47-23-,48-24- |
| InChIKey |
RDJAIEWBKJSNNL-JVQDBASBSA-N |
| Molecular Weight |
712.936 g/mol |
| SMILES |
C12=C3C(C=CC=C3)=C(C=3C1=CC=CC3)\C=C\C=C/C=1C=CC(\C=C/C=C/C3=C4C(=C(\C=C\C=C/C5=CC=C(\C=C/C=C/2)C=C5)C=2C3=CC=CC2)C=CC=C4)=CC1 |
![5,36[1',2']:18,23[1'',2'']-dibenzeno-10,13:28,31-diethenodibenzo[a,q]cyclodotriacontene, (E,E,E,E,z,Z,z,Z)-](/api/spectrum/5nSUXF6adAV/structure.png?h=300&w=458 "5,36[1',2']:18,23[1'',2'']-dibenzeno-10,13:28,31-diethenodibenzo[a,q]cyclodotriacontene, (E,E,E,E,z,Z,z,Z)-")
