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Details

Stereochemistry MIXED
Molecular Formula C18H36O9S2
Molecular Weight 460.603
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 10-SULFONATOOXY-9-SULFOSTEARIC ACID

SMILES

CCCCCCCCC(OS(O)(=O)=O)C(CCCCCCCC(O)=O)S(O)(=O)=O

InChI

InChIKey=JSXZHSISBVIGOU-UHFFFAOYSA-N
InChI=1S/C18H36O9S2/c1-2-3-4-5-7-10-13-16(27-29(24,25)26)17(28(21,22)23)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)(H,21,22,23)(H,24,25,26)

HIDE SMILES / InChI

Molecular Formula C18H36O9S2
Molecular Weight 460.603
Charge 0
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 01:29:51 GMT 2023
Edited
by admin
on Sat Dec 16 01:29:51 GMT 2023
Record UNII
32GV6I2DN6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
10-SULFONATOOXY-9-SULFOSTEARIC ACID
Systematic Name English
OCTADECANOIC ACID, 9-SULFO-10-(SULFOOXY)-
Common Name English
9-SULFO-10-(SULFOOXY)OCTADECANOIC ACID, (±)-
Common Name English
9-SULFO-10-(SULFOOXY)OCTADECANOIC ACID
Systematic Name English
(±)-9-SULFO-10-(SULFOOXY)OCTADECANOIC ACID
Systematic Name English
Code System Code Type Description
CAS
412274-68-1
Created by admin on Sat Dec 16 01:29:51 GMT 2023 , Edited by admin on Sat Dec 16 01:29:51 GMT 2023
PRIMARY
FDA UNII
32GV6I2DN6
Created by admin on Sat Dec 16 01:29:51 GMT 2023 , Edited by admin on Sat Dec 16 01:29:51 GMT 2023
PRIMARY
PUBCHEM
71587730
Created by admin on Sat Dec 16 01:29:51 GMT 2023 , Edited by admin on Sat Dec 16 01:29:51 GMT 2023
PRIMARY