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calcium 2-methyl-3-(3-pentadecylphenoxy)propanoate

calcium 2-methyl-3-(3-pentadecylphenoxy)propanoate

Systemtic Name:calcium 2-methyl-3-(3-pentadecylphenoxy)propanoate
Openeye Name:calcium 2-methyl-3-(3-pentadecylphenoxy)propanoate
CAS Name:calcium 2-methyl-3-(3-pentadecylphenoxy)propanoate
IUPAC Name:calcium 2-methyl-3-(3-pentadecylphenoxy)propanoate
Traditional Name:calcium 2-methyl-3-(3-pentadecylphenoxy)propionate
Formula: C50H82CaO6
MolecularWeight: 819.26048
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OCC(C)C(=O)[O-].CCCCCCCCCCCCCCCC1=CC(=CC=C1)OCC(C)C(=O)[O-].[Ca+2]


Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OCC(C)C(=O)[O-].CCCCCCCCCCCCCCCC1=CC(=CC=C1)OCC(C)C(=O)[O-].[Ca+2]


InChI

InChI=1S/2C25H42O3.Ca/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-23-18-16-19-24(20-23)28-21-22(2)25(26)27;/h2*16,18-20,22H,3-15,17,21H2,1-2H3,(H,26,27);/q;;+2/p-2


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