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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H14O2
Molecular Weight 142.1956
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-DIMETHYL-2,5-HEXANEDIONE, (3S,4S)-

SMILES

C[C@@H]([C@H](C)C(C)=O)C(C)=O

InChI

InChIKey=GECZPGNLQXZLFU-WDSKDSINSA-N
InChI=1S/C8H14O2/c1-5(7(3)9)6(2)8(4)10/h5-6H,1-4H3/t5-,6-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
3,4-DIMETHYL-2,5-HEXANEDIONE, (3S,4S)-
Systematic Name English
(3S,4S)-3,4-DIMETHYLHEXANE-2,5-DIONE
Preferred Name English
2,5-HEXANEDIONE, 3,4-DIMETHYL-, (3S,4S)-
Systematic Name English
Code System Code Type Description
FDA UNII
A63NMU45D8
Created by admin on Tue Apr 01 19:59:37 GMT 2025 , Edited by admin on Tue Apr 01 19:59:37 GMT 2025
PRIMARY
CAS
1932600-86-6
Created by admin on Tue Apr 01 19:59:37 GMT 2025 , Edited by admin on Tue Apr 01 19:59:37 GMT 2025
PRIMARY
PUBCHEM
92169878
Created by admin on Tue Apr 01 19:59:37 GMT 2025 , Edited by admin on Tue Apr 01 19:59:37 GMT 2025
PRIMARY
NIH
NCATS
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