Kekulene

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 Search

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

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 `Wed Apr 02 13:39:58 GMT 2025` Edited by `admin` on `Wed Apr 02 13:39:58 GMT 2025`
Record UNII	ZJP7XZW8ZD
Record Status	`Validated (UNII)`
Record Version

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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