2-ethyl-3-oxidanyl-5-phenylmethoxy-docosanoic acid

Systemtic Name: 2-ethyl-3-oxidanyl-5-phenylmethoxy-docosanoic acid Openeye Name: 5-benzyloxy-2-ethyl-3-hydroxy-docosanoic acid CAS Name: 2-ethyl-3-hydroxy-5-phenylmethoxydocosanoic acid IUPAC Name: 2-ethyl-3-hydroxy-5-phenylmethoxydocosanoic acid Traditional Name: 5-benzoxy-2-ethyl-3-hydroxy-behenic acid Formula: C31H54O4 MolecularWeight: 490.75806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H54O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-28(25-30(32)29(4-2)31(33)34)35-26-27-22-19-18-20-23-27/h18-20,22-23,28-30,32H,3-17,21,24-26H2,1-2H3,(H,33,34)