2-phenylmethoxydocosanoic acid

Systemtic Name: 2-phenylmethoxydocosanoic acid Openeye Name: 2-benzyloxydocosanoic acid CAS Name: 2-phenylmethoxydocosanoic acid IUPAC Name: 2-phenylmethoxydocosanoic acid Traditional Name: 2-benzoxybehenic acid Formula: C29H50O3 MolecularWeight: 446.7055

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(C(=O)O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(C(=O)O)OCC1=CC=CC=C1

InChI

InChI=1S/C29H50O3/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)