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calcium 13,14-bis(bromanyl)docosanoic acid

calcium 13,14-bis(bromanyl)docosanoic acid

Systemtic Name:calcium 13,14-bis(bromanyl)docosanoic acid
Openeye Name:calcium 13,14-dibromodocosanoic acid
CAS Name:calcium 13,14-dibromodocosanoic acid
IUPAC Name:calcium 13,14-dibromodocosanoic acid
Traditional Name:calcium 13,14-dibromobehenic acid
Formula: C22H42Br2CaO2+2
MolecularWeight: 538.45368
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(CCCCCCCCCCCC(=O)O)Br)Br.[Ca+2]


Isomeric SMILES

CCCCCCCCC(C(CCCCCCCCCCCC(=O)O)Br)Br.[Ca+2]


InChI

InChI=1S/C22H42Br2O2.Ca/c1-2-3-4-5-11-14-17-20(23)21(24)18-15-12-9-7-6-8-10-13-16-19-22(25)26;/h20-21H,2-19H2,1H3,(H,25,26);/q;+2


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