U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C22H41O7S.Na
Molecular Weight 472.612
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 1,4-BIS(1-ISOBUTYL-3-METHYLBUTYL) SULPHONATOSUCCINATE

SMILES

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

InChI

InChIKey=JFVJDRMZGMJXCL-UHFFFAOYSA-M
InChI=1S/C22H42O7S.Na/c1-14(2)9-18(10-15(3)4)28-21(23)13-20(30(25,26)27)22(24)29-19(11-16(5)6)12-17(7)8;/h14-20H,9-13H2,1-8H3,(H,25,26,27);/q;+1/p-1

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 C22H41O7S
Molecular Weight 449.622
Charge -1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:43:22 GMT 2023
Edited
by admin
on Sat Dec 16 08:43:22 GMT 2023
Record UNII
O40JZY1N1X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 1,4-BIS(1-ISOBUTYL-3-METHYLBUTYL) SULPHONATOSUCCINATE
Systematic Name English
SODIUM 1,4-BIS(1-ISOBUTYL-3-METHYLBUTYL) SULFOSUCCINATE
Systematic Name English
SUCCINIC ACID, SULFO-, 1,4-BIS(1-ISOBUTYL-3-METHYLBUTYL) ESTER, SODIUM SALT
Systematic Name English
BUTANEDIOIC ACID, 2-SULFO-, 1,4-BIS(3-METHYL-1-(2-METHYLPROPYL)BUTYL) ESTER, SODIUM SALT (1:1)
Systematic Name English
4-HEPTANOL, 2,6-DIMETHYL-, 1,4-DIESTER WITH SULFOSUCCINIC ACID, SODIUM SALT
Systematic Name English
Code System Code Type Description
FDA UNII
O40JZY1N1X
Created by admin on Sat Dec 16 08:43:22 GMT 2023 , Edited by admin on Sat Dec 16 08:43:22 GMT 2023
PRIMARY
PUBCHEM
23668747
Created by admin on Sat Dec 16 08:43:22 GMT 2023 , Edited by admin on Sat Dec 16 08:43:22 GMT 2023
PRIMARY
CAS
7775-05-5
Created by admin on Sat Dec 16 08:43:22 GMT 2023 , Edited by admin on Sat Dec 16 08:43:22 GMT 2023
PRIMARY
EPA CompTox
DTXSID10998944
Created by admin on Sat Dec 16 08:43:22 GMT 2023 , Edited by admin on Sat Dec 16 08:43:22 GMT 2023
PRIMARY
ECHA (EC/EINECS)
231-886-9
Created by admin on Sat Dec 16 08:43:22 GMT 2023 , Edited by admin on Sat Dec 16 08:43:22 GMT 2023
PRIMARY