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sodium 2-phenylmethoxydocosanoate

sodium 2-phenylmethoxydocosanoate

Systemtic Name:sodium 2-phenylmethoxydocosanoate
Openeye Name:sodium 2-benzyloxydocosanoate
CAS Name:sodium 2-phenylmethoxydocosanoate
IUPAC Name:sodium 2-phenylmethoxydocosanoate
Traditional Name:sodium 2-benzoxybehenate
Formula: C29H49NaO3
MolecularWeight: 468.68733
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(C(=O)[O-])OCC1=CC=CC=C1.[Na+]


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(C(=O)[O-])OCC1=CC=CC=C1.[Na+]


InChI

InChI=1S/C29H50O3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(29(30)31)32-26-27-23-20-19-21-24-27;/h19-21,23-24,28H,2-18,22,25-26H2,1H3,(H,30,31);/q;+1/p-1


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