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Details

Stereochemistry MIXED
Molecular Formula C10H16O7S.2Na
Molecular Weight 326.274
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Disodium 1-(1,3-dimethylbutyl) 2-sulfonatosuccinate

SMILES

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

InChI

InChIKey=IAJZJSNXALVKIK-UHFFFAOYSA-L
InChI=1S/C10H18O7S.2Na/c1-6(2)4-7(3)17-10(13)8(5-9(11)12)18(14,15)16;;/h6-8H,4-5H2,1-3H3,(H,11,12)(H,14,15,16);;/q;2*+1/p-2

HIDE SMILES / InChI

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

Molecular Formula C10H16O7S
Molecular Weight 280.295
Charge -2
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:26:26 GMT 2023
Edited
by admin
on Sat Dec 16 18:26:26 GMT 2023
Record UNII
RY5N9CVH9N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Disodium 1-(1,3-dimethylbutyl) 2-sulfonatosuccinate
Systematic Name English
Butanedioic acid, sulfo-, 1-(1,3-dimethylbutyl) ester, disodium salt
Systematic Name English
Butanedioic acid, 2-sulfo-, 1-(1,3-dimethylbutyl) ester, sodium salt (1:2)
Systematic Name English
Code System Code Type Description
FDA UNII
RY5N9CVH9N
Created by admin on Sat Dec 16 18:26:26 GMT 2023 , Edited by admin on Sat Dec 16 18:26:26 GMT 2023
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EPA CompTox
DTXSID70988508
Created by admin on Sat Dec 16 18:26:26 GMT 2023 , Edited by admin on Sat Dec 16 18:26:26 GMT 2023
PRIMARY
PUBCHEM
111365
Created by admin on Sat Dec 16 18:26:26 GMT 2023 , Edited by admin on Sat Dec 16 18:26:26 GMT 2023
PRIMARY
CAS
68797-49-9
Created by admin on Sat Dec 16 18:26:26 GMT 2023 , Edited by admin on Sat Dec 16 18:26:26 GMT 2023
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