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Details

Stereochemistry ACHIRAL
Molecular Formula C48H24
Molecular Weight 600.7042
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Kekulene

SMILES

C1=CC2=CC3=C4C=C2C5=CC6=C(C=CC7=CC8=CC=C9C=C%10C=CC%11=C(C=C%12C(C=CC%13=C%12C=C4C(C=C3)=C%13)=C%11)C%10=CC9=C8C=C67)C=C15

InChI

InChIKey=TYPKKLUFDMGLAC-UHFFFAOYSA-N
InChI=1S/C48H24/c1-2-26-14-28-5-6-30-16-32-9-10-34-18-36-12-11-35-17-33-8-7-31-15-29-4-3-27-13-25(1)37-19-39(27)41(29)21-43(31)45(33)23-47(35)48(36)24-46(34)44(32)22-42(30)40(28)20-38(26)37/h1-24H

HIDE SMILES / InChI

Approval Year

Name Type Language
Kekulene
Common Name English
15,23:16,22-Dimethenobenzo[1,2-a:5,4-a?]dipentaphene
Preferred Name English
[12]Coronaphene
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10420119
Created by admin on Wed Apr 02 13:39:58 GMT 2025 , Edited by admin on Wed Apr 02 13:39:58 GMT 2025
PRIMARY
CAS
15123-47-4
Created by admin on Wed Apr 02 13:39:58 GMT 2025 , Edited by admin on Wed Apr 02 13:39:58 GMT 2025
PRIMARY
FDA UNII
ZJP7XZW8ZD
Created by admin on Wed Apr 02 13:39:58 GMT 2025 , Edited by admin on Wed Apr 02 13:39:58 GMT 2025
PRIMARY
PUBCHEM
5460755
Created by admin on Wed Apr 02 13:39:58 GMT 2025 , Edited by admin on Wed Apr 02 13:39:58 GMT 2025
PRIMARY
WIKIPEDIA
Kekulene
Created by admin on Wed Apr 02 13:39:58 GMT 2025 , Edited by admin on Wed Apr 02 13:39:58 GMT 2025
PRIMARY