3-fluoranyl-4-(4-heptoxynonyl)-1-(4-phenylphenyl)cyclohexane-1-carboxylic acid

Systemtic Name: 3-fluoranyl-4-(4-heptoxynonyl)-1-(4-phenylphenyl)cyclohexane-1-carboxylic acid Openeye Name: 3-fluoro-4-(4-heptoxynonyl)-1-(4-phenylphenyl)cyclohexanecarboxylic acid CAS Name: 3-fluoro-4-(4-heptoxynonyl)-1-(4-phenylphenyl)-1-cyclohexanecarboxylic acid IUPAC Name: 3-fluoro-4-(4-heptoxynonyl)-1-(4-phenylphenyl)cyclohexane-1-carboxylic acid Traditional Name: 3-fluoro-4-(4-heptoxynonyl)-1-(4-phenylphenyl)cyclohexanecarboxylic acid Formula: C35H51FO3 MolecularWeight: 538.776043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(CCCCC)CCCC1CCC(CC1F)(C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCCCOC(CCCCC)CCCC1CCC(CC1F)(C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C35H51FO3/c1-3-5-7-8-13-26-39-32(18-10-6-4-2)19-14-17-30-24-25-35(34(37)38,27-33(30)36)31-22-20-29(21-23-31)28-15-11-9-12-16-28/h9,11-12,15-16,20-23,30,32-33H,3-8,10,13-14,17-19,24-27H2,1-2H3,(H,37,38)