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calcium 18-oxidanyloctadecanoate

calcium 18-oxidanyloctadecanoate

Systemtic Name:calcium 18-oxidanyloctadecanoate
Openeye Name:calcium 18-hydroxyoctadecanoate
CAS Name:calcium 18-hydroxyoctadecanoate
IUPAC Name:calcium 18-hydroxyoctadecanoate
Traditional Name:calcium 18-hydroxystearate
Formula: C36H70CaO6
MolecularWeight: 639.0154
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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCCCC(=O)[O-])CCCCCCCCO.C(CCCCCCCCC(=O)[O-])CCCCCCCCO.[Ca+2]


Isomeric SMILES

C(CCCCCCCCC(=O)[O-])CCCCCCCCO.C(CCCCCCCCC(=O)[O-])CCCCCCCCO.[Ca+2]


InChI

InChI=1S/2C18H36O3.Ca/c2*19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21;/h2*19H,1-17H2,(H,20,21);/q;;+2/p-2


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