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Details

Stereochemistry ACHIRAL
Molecular Formula C15H20O3
Molecular Weight 248.3175
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CRM-51005

SMILES

CCC\C=C(/C)C1=C(C=O)C(O)=C(CC)C(O)=C1

InChI

InChIKey=BEEZXTYOZYXCKI-JXMROGBWSA-N
InChI=1S/C15H20O3/c1-4-6-7-10(3)12-8-14(17)11(5-2)15(18)13(12)9-16/h7-9,17-18H,4-6H2,1-3H3/b10-7+

HIDE SMILES / InChI

Molecular Formula C15H20O3
Molecular Weight 248.3175
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 11:00:51 GMT 2023
Edited
by admin
on Sat Dec 16 11:00:51 GMT 2023
Record UNII
VPQ60YC8B9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CRM-51005
Common Name English
BENZALDEHYDE, 3-ETHYL-2,4-DIHYDROXY-6-(1-METHYL-1-PENTENYL)-, (E)-
Systematic Name English
BENZALDEHYDE, 3-ETHYL-2,4-DIHYDROXY-6-((1E)-1-METHYL-1-PENTEN-1-YL)-
Systematic Name English
BENZALDEHYDE, 3-ETHYL-2,4-DIHYDROXY-6-((1E)-1-METHYL-1-PENTENYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
VPQ60YC8B9
Created by admin on Sat Dec 16 11:00:51 GMT 2023 , Edited by admin on Sat Dec 16 11:00:51 GMT 2023
PRIMARY
CAS
203051-01-8
Created by admin on Sat Dec 16 11:00:51 GMT 2023 , Edited by admin on Sat Dec 16 11:00:51 GMT 2023
PRIMARY
PUBCHEM
9859739
Created by admin on Sat Dec 16 11:00:51 GMT 2023 , Edited by admin on Sat Dec 16 11:00:51 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY