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Details

Stereochemistry ACHIRAL
Molecular Formula C18H30O6
Molecular Weight 342.4272
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of TRIBUTYL ACONITATE

SMILES

CCCCOC(=O)C\C(=C\C(=O)OCCCC)C(=O)OCCCC

InChI

InChIKey=BANLNYYTSYHBAP-SQFISAMPSA-N
InChI=1S/C18H30O6/c1-4-7-10-22-16(19)13-15(18(21)24-12-9-6-3)14-17(20)23-11-8-5-2/h13H,4-12,14H2,1-3H3/b15-13-

HIDE SMILES / InChI

Molecular Formula C18H30O6
Molecular Weight 342.4272
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 15:04:54 GMT 2023
Edited
by admin
on Sat Dec 16 15:04:54 GMT 2023
Record UNII
M1U6U57Y4V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRIBUTYL ACONITATE
Common Name English
TRIBUTYL ACONITATE [EP IMPURITY]
Common Name English
TRIBUTYL PROPENE-1,2,3-TRICARBOXYLATE
Systematic Name English
TRIBUTYL ACETYLCITRATE IMPURITY B [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
5370335
Created by admin on Sat Dec 16 15:04:54 GMT 2023 , Edited by admin on Sat Dec 16 15:04:54 GMT 2023
PRIMARY
FDA UNII
M1U6U57Y4V
Created by admin on Sat Dec 16 15:04:54 GMT 2023 , Edited by admin on Sat Dec 16 15:04:54 GMT 2023
PRIMARY
CAS
77630-53-6
Created by admin on Sat Dec 16 15:04:54 GMT 2023 , Edited by admin on Sat Dec 16 15:04:54 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
EP