| SpectraBase Spectrum ID |
IqRwcIadPWo |
| Name |
Heptacyclo[32.2.2.2(4,7).2(10,13).2(16,19).2(22,25).2(28,31)]octatetraconta-2,4,6,10,12,14,16,18,22,24,26,28,30,34,36,37,39,41,43,45,47-heneicosaene-8,20,32-triyne, (Z,Z,Z)- |
| Alternate Name(s) |
heptacyclo[32.2.2.2(4,7).2(10,13).2(16,19).2(22,25).2(28,31)]octatetraconta-1(36),2,4,6,10,12,14,16,18,22,24,26,28,30,34,37,39,41,43,45,47-henicosaene-8,20,32-triyne
[2(6)]paracyclophanetrienetriyne |
| CAS Registry Number |
84907-58-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C48H30 |
| InChI |
InChI=1S/C48H30/c1-2-38-4-3-37(1)25-26-39-5-7-41(8-6-39)29-30-43-13-15-45(16-14-43)33-34-47-21-23-48(24-22-47)36-35-46-19-17-44(18-20-46)32-31-42-11-9-40(10-12-42)28-27-38/h1-26,31-34H/b26-25-,32-31-,34-33- |
| InChIKey |
QBGLWMXFWAGUFX-WTSTUYMSSA-N |
| Molecular Weight |
606.768 g/mol |
| SMILES |
C1#Cc2ccc(\C=C/c3ccc(C#Cc4ccc(cc4)\C=C/c4ccc(C#Cc5ccc(\C=C/c6ccc1cc6)cc5)cc4)cc3)cc2 |
| SPLASH |
splash10-0a4i-0000009000-401334d237d59c343626 |
| Source of Spectrum |
SB-36-659-0 |
| Wiley ID |
1410650 |
![Heptacyclo[32.2.2.2(4,7).2(10,13).2(16,19).2(22,25).2(28,31)]octatetraconta-2,4,6,10,12,14,16,18,22,24,26,28,30,34,36,37,39,41,43,45,47-heneicosaene-8,20,32-triyne, (Z,Z,Z)-](/api/spectrum/IqRwcIadPWo/structure.png?h=300&w=458 "Heptacyclo[32.2.2.2(4,7).2(10,13).2(16,19).2(22,25).2(28,31)]octatetraconta-2,4,6,10,12,14,16,18,22,24,26,28,30,34,36,37,39,41,43,45,47-heneicosaene-8,20,32-triyne, (Z,Z,Z)-")
