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Details

Stereochemistry ACHIRAL
Molecular Formula C11H8BrO4.Na
Molecular Weight 307.073
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SODIUM BROMEBRATE, (Z)-

SMILES

[Na+].COC1=CC=C(C=C1)C(=O)C(\Br)=C\C([O-])=O

InChI

InChIKey=DVDCIQWIGOVWEX-BORNJIKYSA-M
InChI=1S/C11H9BrO4.Na/c1-16-8-4-2-7(3-5-8)11(15)9(12)6-10(13)14;/h2-6H,1H3,(H,13,14);/q;+1/p-1/b9-6-;

HIDE SMILES / InChI

Molecular Formula C11H8BrO4
Molecular Weight 284.083
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
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 Fri Dec 15 15:01:37 GMT 2023
Edited
by admin
on Fri Dec 15 15:01:37 GMT 2023
Record UNII
CQ35023DF7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM BROMEBRATE, (Z)-
Common Name English
ACRYLIC ACID, 3-P-ANISOYL-3-BROMO-, SODIUM SALT, (Z)-
Common Name English
2-BUTENOIC ACID, 3-BROMO-4-(4-METHOXYPHENYL)-4-OXO-, SODIUM SALT, (2Z)-
Systematic Name English
Code System Code Type Description
FDA UNII
CQ35023DF7
Created by admin on Fri Dec 15 15:01:37 GMT 2023 , Edited by admin on Fri Dec 15 15:01:37 GMT 2023
PRIMARY
CAS
2126-70-7
Created by admin on Fri Dec 15 15:01:37 GMT 2023 , Edited by admin on Fri Dec 15 15:01:37 GMT 2023
PRIMARY
PUBCHEM
23663958
Created by admin on Fri Dec 15 15:01:37 GMT 2023 , Edited by admin on Fri Dec 15 15:01:37 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE