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Details

Stereochemistry ACHIRAL
Molecular Formula C18H14N2O6.2Na
Molecular Weight 400.2931
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DISODIUM 2,2'-(1,2-ETHANEDIYLBIS(IMINOCARBONYL))BISBENZOATE

SMILES

[Na+].[Na+].[O-]C(=O)C1=CC=CC=C1C(=O)NCCNC(=O)C2=CC=CC=C2C([O-])=O

InChI

InChIKey=LMOODUDFLCSHDB-UHFFFAOYSA-L
InChI=1S/C18H16N2O6.2Na/c21-15(11-5-1-3-7-13(11)17(23)24)19-9-10-20-16(22)12-6-2-4-8-14(12)18(25)26;;/h1-8H,9-10H2,(H,19,21)(H,20,22)(H,23,24)(H,25,26);;/q;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula C18H14N2O6
Molecular Weight 354.3136
Charge -2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:35:50 GMT 2023
Edited
by admin
on Sat Dec 16 12:35:50 GMT 2023
Record UNII
X63KCQ7BGQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DISODIUM 2,2'-(1,2-ETHANEDIYLBIS(IMINOCARBONYL))BISBENZOATE
Systematic Name English
BENZOIC ACID, 2,2'-(1,2-ETHANEDIYLBIS(IMINOCARBONYL))BIS-, DISODIUM SALT
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
302-880-4
Created by admin on Sat Dec 16 12:35:50 GMT 2023 , Edited by admin on Sat Dec 16 12:35:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID20240744
Created by admin on Sat Dec 16 12:35:50 GMT 2023 , Edited by admin on Sat Dec 16 12:35:50 GMT 2023
PRIMARY
CAS
94135-12-3
Created by admin on Sat Dec 16 12:35:50 GMT 2023 , Edited by admin on Sat Dec 16 12:35:50 GMT 2023
PRIMARY
FDA UNII
X63KCQ7BGQ
Created by admin on Sat Dec 16 12:35:50 GMT 2023 , Edited by admin on Sat Dec 16 12:35:50 GMT 2023
PRIMARY
PUBCHEM
44152898
Created by admin on Sat Dec 16 12:35:50 GMT 2023 , Edited by admin on Sat Dec 16 12:35:50 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE