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

Systemtic Name: 3-fluoranyl-4-heptoxy-4-pentyl-1-(4-phenylphenyl)cyclohexane-1-carboxylic acid Openeye Name: 3-fluoro-4-heptoxy-4-pentyl-1-(4-phenylphenyl)cyclohexanecarboxylic acid CAS Name: 3-fluoro-4-heptoxy-4-pentyl-1-(4-phenylphenyl)-1-cyclohexanecarboxylic acid IUPAC Name: 3-fluoro-4-heptoxy-4-pentyl-1-(4-phenylphenyl)cyclohexane-1-carboxylic acid Traditional Name: 4-amyl-3-fluoro-4-heptoxy-1-(4-phenylphenyl)cyclohexanecarboxylic acid Formula: C31H43FO3 MolecularWeight: 482.669723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1(CCC(CC1F)(C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)CCCCC

Isomeric SMILES

CCCCCCCOC1(CCC(CC1F)(C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)CCCCC

InChI

InChI=1S/C31H43FO3/c1-3-5-7-8-13-23-35-31(20-12-6-4-2)22-21-30(29(33)34,24-28(31)32)27-18-16-26(17-19-27)25-14-10-9-11-15-25/h9-11,14-19,28H,3-8,12-13,20-24H2,1-2H3,(H,33,34)