U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H10
Molecular Weight 106.165
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYCLOOCTA-1,3,6-TRIENE

SMILES

C1C=CCC=CC=C1

InChI

InChIKey=LHNSMWDERKGLJK-DKPWQKSPSA-N
InChI=1S/C8H10/c1-2-4-6-8-7-5-3-1/h1-4,7-8H,5-6H2/b3-1-,4-2-,8-7-

HIDE SMILES / InChI

Molecular Formula C8H10
Molecular Weight 106.165
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
A4MP3YY9QN
Record Status Validated (UNII)
Record Version