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Details

Stereochemistry ACHIRAL
Molecular Formula C8H8
Molecular Weight 104.1491
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BARRELENE

SMILES

C1=CC2C=CC1C=C2

InChI

InChIKey=RHCCUQVVABYRDN-UHFFFAOYSA-N
InChI=1S/C8H8/c1-2-8-5-3-7(1)4-6-8/h1-8H

HIDE SMILES / InChI

Molecular Formula C8H8
Molecular Weight 104.1491
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
2P5L4Z7K7I
Record Status Validated (UNII)
Record Version