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Details

Stereochemistry ACHIRAL
Molecular Formula C7H4O8S2.2Na
Molecular Weight 326.211
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benzoic acid, 3,5-disulfo-, disodium salt

SMILES

[Na+].[Na+].OC(=O)C1=CC(=CC(=C1)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=NCBDBWXOBUXRIC-UHFFFAOYSA-L
InChI=1S/C7H6O8S2.2Na/c8-7(9)4-1-5(16(10,11)12)3-6(2-4)17(13,14)15;;/h1-3H,(H,8,9)(H,10,11,12)(H,13,14,15);;/q;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula C7H4O8S2
Molecular Weight 280.232
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 11:57:16 GMT 2023
Edited
by admin
on Sat Dec 16 11:57:16 GMT 2023
Record UNII
AT3T25MK2E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzoic acid, 3,5-disulfo-, disodium salt
Common Name English
Benzoic acid, 3,5-disulfo-, sodium salt (1:2)
Systematic Name English
Benzoic acid, 3,5-disulfo-, sodium salt
Common Name English
Code System Code Type Description
FDA UNII
AT3T25MK2E
Created by admin on Sat Dec 16 11:57:16 GMT 2023 , Edited by admin on Sat Dec 16 11:57:16 GMT 2023
PRIMARY
ECHA (EC/EINECS)
242-807-2
Created by admin on Sat Dec 16 11:57:16 GMT 2023 , Edited by admin on Sat Dec 16 11:57:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID0066454
Created by admin on Sat Dec 16 11:57:16 GMT 2023 , Edited by admin on Sat Dec 16 11:57:16 GMT 2023
PRIMARY
CAS
19089-55-5
Created by admin on Sat Dec 16 11:57:16 GMT 2023 , Edited by admin on Sat Dec 16 11:57:16 GMT 2023
PRIMARY
PUBCHEM
87926
Created by admin on Sat Dec 16 11:57:16 GMT 2023 , Edited by admin on Sat Dec 16 11:57:16 GMT 2023
PRIMARY