3-(4-octoxypentan-2-yloxy)-4-phenyl-benzoic acid

Systemtic Name: 3-(4-octoxypentan-2-yloxy)-4-phenyl-benzoic acid Openeye Name: 3-(1-methyl-3-octoxy-butoxy)-4-phenyl-benzoic acid CAS Name: 3-(4-octoxypentan-2-yloxy)-4-phenylbenzoic acid IUPAC Name: 3-(4-octoxypentan-2-yloxy)-4-phenylbenzoic acid Traditional Name: 3-(1-methyl-3-octoxy-butoxy)-4-phenyl-benzoic acid Formula: C26H36O4 MolecularWeight: 412.56164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(C)CC(C)OC1=C(C=CC(=C1)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCOC(C)CC(C)OC1=C(C=CC(=C1)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C26H36O4/c1-4-5-6-7-8-12-17-29-20(2)18-21(3)30-25-19-23(26(27)28)15-16-24(25)22-13-10-9-11-14-22/h9-11,13-16,19-21H,4-8,12,17-18H2,1-3H3,(H,27,28)