7-oxidanylidene-22-phenylmethoxy-docosanoic acid

Systemtic Name: 7-oxidanylidene-22-phenylmethoxy-docosanoic acid Openeye Name: 22-benzyloxy-7-oxo-docosanoic acid CAS Name: 7-oxo-22-phenylmethoxydocosanoic acid IUPAC Name: 7-oxo-22-phenylmethoxydocosanoic acid Traditional Name: 22-benzoxy-7-keto-behenic acid Formula: C29H48O4 MolecularWeight: 460.68902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCCCCCCCCCCCCCC(=O)CCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COCCCCCCCCCCCCCCCC(=O)CCCCCC(=O)O

InChI

InChI=1S/C29H48O4/c30-28(23-17-13-18-24-29(31)32)22-16-10-8-6-4-2-1-3-5-7-9-11-19-25-33-26-27-20-14-12-15-21-27/h12,14-15,20-21H,1-11,13,16-19,22-26H2,(H,31,32)