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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=CC=C4C=C5C=CC6=CC7=CC=C8C=C9C=CC%10=CC%11=CC=C%12C=C1C%13=CC%12=C%11C=C%10C9=CC8=C7C=C6C5=CC4=C3C=C2%13

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

Molecular Formula C48H24
Molecular Weight 600.7042
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:07:09 GMT 2023
Edited
by admin
on Sat Dec 16 19:07:09 GMT 2023
Record UNII
ZJP7XZW8ZD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Kekulene
Common Name English
15,23:16,22-Dimethenobenzo[1,2-a:5,4-a′]dipentaphene
Systematic Name English
[12]Coronaphene
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10420119
Created by admin on Sat Dec 16 19:07:09 GMT 2023 , Edited by admin on Sat Dec 16 19:07:09 GMT 2023
PRIMARY
CAS
15123-47-4
Created by admin on Sat Dec 16 19:07:09 GMT 2023 , Edited by admin on Sat Dec 16 19:07:09 GMT 2023
PRIMARY
FDA UNII
ZJP7XZW8ZD
Created by admin on Sat Dec 16 19:07:09 GMT 2023 , Edited by admin on Sat Dec 16 19:07:09 GMT 2023
PRIMARY
PUBCHEM
5460755
Created by admin on Sat Dec 16 19:07:09 GMT 2023 , Edited by admin on Sat Dec 16 19:07:09 GMT 2023
PRIMARY
WIKIPEDIA
Kekulene
Created by admin on Sat Dec 16 19:07:09 GMT 2023 , Edited by admin on Sat Dec 16 19:07:09 GMT 2023
PRIMARY