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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 P-DODECYLBENZENESULFONATE

SMILES

[Ca++].CCCCCCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O.CCCCCCCCCCCCC2=CC=C(C=C2)S([O-])(=O)=O

InChI

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

HIDE SMILES / InChI

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

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 08:04:31 GMT 2023
Edited
by admin
on Sat Dec 16 08:04:31 GMT 2023
Record UNII
S122DRS812
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM P-DODECYLBENZENESULFONATE
Common Name English
NSC-85531
Code English
BENZENESULFONIC ACID, 4-DODECYL-, CALCIUM SALT (2:1)
Systematic Name English
Code System Code Type Description
NSC
85531
Created by admin on Sat Dec 16 08:04:31 GMT 2023 , Edited by admin on Sat Dec 16 08:04:31 GMT 2023
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EPA CompTox
DTXSID0041648
Created by admin on Sat Dec 16 08:04:31 GMT 2023 , Edited by admin on Sat Dec 16 08:04:31 GMT 2023
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CAS
47236-10-2
Created by admin on Sat Dec 16 08:04:31 GMT 2023 , Edited by admin on Sat Dec 16 08:04:31 GMT 2023
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PUBCHEM
170775
Created by admin on Sat Dec 16 08:04:31 GMT 2023 , Edited by admin on Sat Dec 16 08:04:31 GMT 2023
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FDA UNII
S122DRS812
Created by admin on Sat Dec 16 08:04:31 GMT 2023 , Edited by admin on Sat Dec 16 08:04:31 GMT 2023
PRIMARY