SpectraBase Spectrum ID |
CxJzLzs8nMA |
Name |
7,10:19,22:31,34-Triethenotribenzo[a,k,u]cyclotriacontene, (all-Z)- |
Alternate Name(s) |
all-cis-(26)(orthopara)3cyclophanehexaene
Heptacyclo[38.2.2.2(12,15).2(26,29).0(4,9).0(18,23).0(32,37)]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,43,45,47-tetracosaene |
CAS Registry Number |
66726-67-8 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C48H36 |
InChI |
InChI=1S/C48H36/c1-2-8-44-32-26-38-17-19-40(20-18-38)28-34-46-10-5-6-12-48(46)36-30-42-23-21-41(22-24-42)29-35-47-11-4-3-9-45(47)33-27-39-15-13-37(14-16-39)25-31-43(44)7-1/h1-36H/b31-25+,32-26+,33-27+,34-28+,35-29+,36-30+,37-25-,38-26-,39-27-,40-28+,41-29-,42-30+,43-31+,44-32+,45-33+,46-34-,47-35+,48-36- |
InChIKey |
BGTUYKYUAMWQAZ-QCOIPIBVSA-N |
Molecular Weight |
612.816 g/mol |
SMILES |
c12\C=C\c3c(\C=C\c4ccc(\C=C\c5c(\C=C\c6ccc(\C=C\c7c(\C=C\c(cc2)cc1)cccc7)cc6)cccc5)cc4)cccc3 |
SPLASH |
splash10-0wmi-1192002000-6f68ed177a1fc554615b |
Source of Spectrum |
SB-32-116-0 |
Wiley ID |
1411108 |