2-oxidanyl-5-phenylmethoxy-docosanoic acid

Systemtic Name: 2-oxidanyl-5-phenylmethoxy-docosanoic acid Openeye Name: 5-benzyloxy-2-hydroxy-docosanoic acid CAS Name: 2-hydroxy-5-phenylmethoxydocosanoic acid IUPAC Name: 2-hydroxy-5-phenylmethoxydocosanoic acid Traditional Name: 5-benzoxy-2-hydroxy-behenic acid Formula: C29H50O4 MolecularWeight: 462.7049

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCC(C(=O)O)O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCC(C(=O)O)O)OCC1=CC=CC=C1

InChI

InChI=1S/C29H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-27(23-24-28(30)29(31)32)33-25-26-20-17-16-18-21-26/h16-18,20-21,27-28,30H,2-15,19,22-25H2,1H3,(H,31,32)