3-fluoranyl-4-heptoxy-4-octyl-1-(4-phenylphenyl)cyclohexane-1-carboxylic acid

Systemtic Name: 3-fluoranyl-4-heptoxy-4-octyl-1-(4-phenylphenyl)cyclohexane-1-carboxylic acid Openeye Name: 3-fluoro-4-heptoxy-4-octyl-1-(4-phenylphenyl)cyclohexanecarboxylic acid CAS Name: 3-fluoro-4-heptoxy-4-octyl-1-(4-phenylphenyl)-1-cyclohexanecarboxylic acid IUPAC Name: 3-fluoro-4-heptoxy-4-octyl-1-(4-phenylphenyl)cyclohexane-1-carboxylic acid Traditional Name: 3-fluoro-4-heptoxy-4-octyl-1-(4-phenylphenyl)cyclohexanecarboxylic acid Formula: C34H49FO3 MolecularWeight: 524.749463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(CCC(CC1F)(C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)OCCCCCCC

Isomeric SMILES

CCCCCCCCC1(CCC(CC1F)(C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)OCCCCCCC

InChI

InChI=1S/C34H49FO3/c1-3-5-7-9-10-15-23-34(38-26-16-11-8-6-4-2)25-24-33(32(36)37,27-31(34)35)30-21-19-29(20-22-30)28-17-13-12-14-18-28/h12-14,17-22,31H,3-11,15-16,23-27H2,1-2H3,(H,36,37)