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Details

Stereochemistry ACHIRAL
Molecular Formula 2C18H29O3S.Ca
Molecular Weight 691.05
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM O-DODECYLBENZENESULFONATE

SMILES

[Ca++].CCCCCCCCCCCCC1=CC=CC=C1S([O-])(=O)=O.CCCCCCCCCCCCC2=CC=CC=C2S([O-])(=O)=O

InChI

InChIKey=OOCMUZJPDXYRFD-UHFFFAOYSA-L
InChI=1S/2C18H30O3S.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h2*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;;+2/p-2

HIDE SMILES / InChI

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

Molecular Formula C18H29O3S
Molecular Weight 325.486
Charge -1
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 08:38:12 GMT 2023
Edited
by admin
on Sat Dec 16 08:38:12 GMT 2023
Record UNII
TGS2U3R573
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM O-DODECYLBENZENESULFONATE
Common Name English
CALCIUM 2-DODECYLBENZENESULFONIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
13651206
Created by admin on Sat Dec 16 08:38:12 GMT 2023 , Edited by admin on Sat Dec 16 08:38:12 GMT 2023
PRIMARY
FDA UNII
TGS2U3R573
Created by admin on Sat Dec 16 08:38:12 GMT 2023 , Edited by admin on Sat Dec 16 08:38:12 GMT 2023
PRIMARY