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

Details

Stereochemistry ACHIRAL
Molecular Formula 2C10H11O3.Ca
Molecular Weight 398.463
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROPYLPARABEN CALCIUM

SMILES

[Ca++].CCCOC(=O)C1=CC=C([O-])C=C1.CCCOC(=O)C2=CC=C([O-])C=C2

InChI

InChIKey=WOCSLYGVQTVYAB-UHFFFAOYSA-L
InChI=1S/2C10H12O3.Ca/c2*1-2-7-13-10(12)8-3-5-9(11)6-4-8;/h2*3-6,11H,2,7H2,1H3;/q;;+2/p-2

HIDE SMILES / InChI

Approval Year