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

Details

Stereochemistry MIXED
Molecular Formula C16H30O7S
Molecular Weight 366.47
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SULFOSUCCINIC ACID DI(1-METHYLISOPENTYL) ESTER

SMILES

CC(C)CC(C)OC(=O)CC(C(=O)OC(C)CC(C)C)S(O)(=O)=O

InChI

InChIKey=CLJDUFMUISGSEC-UHFFFAOYSA-N
InChI=1S/C16H30O7S/c1-10(2)7-12(5)22-15(17)9-14(24(19,20)21)16(18)23-13(6)8-11(3)4/h10-14H,7-9H2,1-6H3,(H,19,20,21)

HIDE SMILES / InChI

Molecular Formula C16H30O7S
Molecular Weight 366.47
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:26:58 GMT 2023
Edited
by admin
on Sat Dec 16 09:26:58 GMT 2023
Record UNII
SY2YOW949W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SULFOSUCCINIC ACID DI(1-METHYLISOPENTYL) ESTER
Common Name English
BUTANEDIOIC ACID, SULFO-, 1,4-BIS(1,3-DIMETHYLBUTYL) ESTER
Systematic Name English
1,4-BIS(4-METHYLPENTAN-2-YLOXY)-1,4-DIOXOBUTANE-2-SULFONIC ACID
Systematic Name English
1,4-BIS((4-METHYL-2-PENTANYL)OXY)-1,4-DIOXO-2-BUTANESULFONIC ACID
Systematic Name English
BUTANEDIOIC ACID, 2-SULFO-, 1,4-BIS(1,3-DIMETHYLBUTYL) ESTER
Systematic Name English
SULFOSUCCINIC ACID 1,4-BIS(1,3-DIMETHYLBUTYL) ESTER
Systematic Name English
J2.185.431J
Code English
Code System Code Type Description
CAS
162215-93-2
Created by admin on Sat Dec 16 09:26:58 GMT 2023 , Edited by admin on Sat Dec 16 09:26:58 GMT 2023
PRIMARY
FDA UNII
SY2YOW949W
Created by admin on Sat Dec 16 09:26:58 GMT 2023 , Edited by admin on Sat Dec 16 09:26:58 GMT 2023
PRIMARY
PUBCHEM
102796
Created by admin on Sat Dec 16 09:26:58 GMT 2023 , Edited by admin on Sat Dec 16 09:26:58 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT