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Details

Stereochemistry ACHIRAL
Molecular Formula 2C6H13O4S.Ca
Molecular Weight 402.538
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Calcium hexyl sulfate

SMILES

[Ca++].CCCCCCOS([O-])(=O)=O.CCCCCCOS([O-])(=O)=O

InChI

InChIKey=CRAMXFQCZXHPGI-UHFFFAOYSA-L
InChI=1S/2C6H14O4S.Ca/c2*1-2-3-4-5-6-10-11(7,8)9;/h2*2-6H2,1H3,(H,7,8,9);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula C6H13O4S
Molecular Weight 181.23
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
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 20:18:03 GMT 2023
Edited
by admin
on Sat Dec 16 20:18:03 GMT 2023
Record UNII
6VDW7MJ84Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Calcium hexyl sulfate
Systematic Name English
Sulfuric acid, monohexyl ester, calcium salt (2:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
172772
Created by admin on Sat Dec 16 20:18:03 GMT 2023 , Edited by admin on Sat Dec 16 20:18:03 GMT 2023
PRIMARY
FDA UNII
6VDW7MJ84Y
Created by admin on Sat Dec 16 20:18:03 GMT 2023 , Edited by admin on Sat Dec 16 20:18:03 GMT 2023
PRIMARY
CAS
71317-39-0
Created by admin on Sat Dec 16 20:18:03 GMT 2023 , Edited by admin on Sat Dec 16 20:18:03 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE