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

Details

Stereochemistry ACHIRAL
Molecular Formula 2C18H35O2.Ca
Molecular Weight 607.017
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM ISOSTEARATE

SMILES

[Ca++].CC(C)CCCCCCCCCCCCCCC([O-])=O.CC(C)CCCCCCCCCCCCCCC([O-])=O

InChI

InChIKey=YFPZYGHCFMOTQL-UHFFFAOYSA-L
InChI=1S/2C18H36O2.Ca/c2*1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;/h2*17H,3-16H2,1-2H3,(H,19,20);/q;;+2/p-2

HIDE SMILES / InChI

Approval Year

Name Type Language
CALCIUM ISOSTEARATE
Common Name English
CALCIUM ISOOCTADECANOATE
Systematic Name English
ISOOCTADECANOIC ACID, CALCIUM SALT
Systematic Name English
Classification Tree Code System Code
CFR 21 CFR 176.170
Created by admin on Sat Dec 16 08:24:07 GMT 2023 , Edited by admin on Sat Dec 16 08:24:07 GMT 2023
Code System Code Type Description
ECHA (EC/EINECS)
261-999-9
Created by admin on Sat Dec 16 08:24:07 GMT 2023 , Edited by admin on Sat Dec 16 08:24:07 GMT 2023
PRIMARY
FDA UNII
J93120L980
Created by admin on Sat Dec 16 08:24:07 GMT 2023 , Edited by admin on Sat Dec 16 08:24:07 GMT 2023
PRIMARY
PUBCHEM
6453880
Created by admin on Sat Dec 16 08:24:07 GMT 2023 , Edited by admin on Sat Dec 16 08:24:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID20208682
Created by admin on Sat Dec 16 08:24:07 GMT 2023 , Edited by admin on Sat Dec 16 08:24:07 GMT 2023
PRIMARY
CAS
59963-30-3
Created by admin on Sat Dec 16 08:24:07 GMT 2023 , Edited by admin on Sat Dec 16 08:24:07 GMT 2023
PRIMARY