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calcium; benzenecarboperoxoic acid; octadecanoate

calcium; benzenecarboperoxoic acid; octadecanoate

Systemtic Name:calcium; benzenecarboperoxoic acid; octadecanoate
Openeye Name:calcium; benzenecarboperoxoic acid; octadecanoate
CAS Name:calcium; benzenecarboperoxoic acid; octadecanoate
IUPAC Name:calcium; benzenecarboperoxoic acid; octadecanoate
Traditional Name:calcium; perbenzoic acid; stearate
Formula: C43H76CaO7
MolecularWeight: 745.13734
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].C1=CC=C(C=C1)C(=O)OO.[Ca+2]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].C1=CC=C(C=C1)C(=O)OO.[Ca+2]


InChI

InChI=1S/2C18H36O2.C7H6O3.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-7(10-9)6-4-2-1-3-5-6;/h2*2-17H2,1H3,(H,19,20);1-5,9H;/q;;;+2/p-2


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