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aluminum 2-octadecanoyloxypropanoate

aluminum 2-octadecanoyloxypropanoate

Systemtic Name:aluminum 2-octadecanoyloxypropanoate
Openeye Name:aluminum 2-octadecanoyloxypropanoate
CAS Name:aluminum 2-(1-oxooctadecoxy)propanoate
IUPAC Name:aluminum 2-octadecanoyloxypropanoate
Traditional Name:aluminum 2-stearoyloxypropionate
Formula: C63H117AlO12
MolecularWeight: 1093.577418
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)[O-].[Al+3]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)[O-].[Al+3]


InChI

InChI=1S/3C21H40O4.Al/c3*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24;/h3*19H,3-18H2,1-2H3,(H,23,24);/q;;;+3/p-3


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