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Details

Stereochemistry ACHIRAL
Molecular Formula C13H22O
Molecular Weight 194.3132
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ISOSOLANONE, (E)-

SMILES

CC(C)C(\CCC(C)=O)=C\C=C(C)C

InChI

InChIKey=OECZDEARAHSSQV-MDWZMJQESA-N
InChI=1S/C13H22O/c1-10(2)6-8-13(11(3)4)9-7-12(5)14/h6,8,11H,7,9H2,1-5H3/b13-8+

HIDE SMILES / InChI

Molecular Formula C13H22O
Molecular Weight 194.3132
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:26:42 GMT 2023
Edited
by admin
on Sat Dec 16 14:26:42 GMT 2023
Record UNII
MZE4RJL5CF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOSOLANONE, (E)-
Common Name English
(E)-ISOSOLANONE
Common Name English
5,7-NONADIEN-2-ONE, 8-METHYL-5-(1-METHYLETHYL)-, (5E)-
Systematic Name English
(5E)-8-METHYL-5-(1-METHYLETHYL)-5,7-NONADIEN-2-ONE
Systematic Name English
Code System Code Type Description
CAS
6799-41-3
Created by admin on Sat Dec 16 14:26:43 GMT 2023 , Edited by admin on Sat Dec 16 14:26:43 GMT 2023
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FDA UNII
MZE4RJL5CF
Created by admin on Sat Dec 16 14:26:43 GMT 2023 , Edited by admin on Sat Dec 16 14:26:43 GMT 2023
PRIMARY
PUBCHEM
11116926
Created by admin on Sat Dec 16 14:26:43 GMT 2023 , Edited by admin on Sat Dec 16 14:26:43 GMT 2023
PRIMARY