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Details

Stereochemistry ACHIRAL
Molecular Formula C6H3O6.3Na
Molecular Weight 240.0537
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SODIUM ACONITATE, (E)-

SMILES

[Na+].[Na+].[Na+].[O-]C(=O)C\C(C([O-])=O)=C/C([O-])=O

InChI

InChIKey=FONYLINGKWPNNY-SMZBABNXSA-K
InChI=1S/C6H6O6.3Na/c7-4(8)1-3(6(11)12)2-5(9)10;;;/h1H,2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3/b3-1+;;;

HIDE SMILES / InChI

Approval Year

Name Type Language
SODIUM ACONITATE, (E)-
Common Name English
1-PROPENE-1,2,3-TRICARBOXYLIC ACID, TRISODIUM SALT, (E)-
Systematic Name English
SODIUM TRANS- ACONITATE
Common Name English
SODIUM ACONITATE, TRANS-
Common Name English
SODIUM TRANS-ACONITATE
Common Name English
TRISODIUM ACONITATE, TRANS-
Common Name English
Code System Code Type Description
CAS
22476-82-0
Created by admin on Sat Dec 16 10:24:51 UTC 2023 , Edited by admin on Sat Dec 16 10:24:51 UTC 2023
NON-SPECIFIC STOICHIOMETRY
FDA UNII
AL452Z5A4O
Created by admin on Sat Dec 16 10:24:51 UTC 2023 , Edited by admin on Sat Dec 16 10:24:51 UTC 2023
PRIMARY
PUBCHEM
12815516
Created by admin on Sat Dec 16 10:24:51 UTC 2023 , Edited by admin on Sat Dec 16 10:24:51 UTC 2023
PRIMARY
CAS
51209-19-9
Created by admin on Sat Dec 16 10:24:51 UTC 2023 , Edited by admin on Sat Dec 16 10:24:51 UTC 2023
PRIMARY