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

Systemtic Name: 3-fluoranyl-4-heptoxy-4-heptyl-1-(4-phenylphenyl)cyclohexane-1-carboxylic acid Openeye Name: 3-fluoro-4-heptoxy-4-heptyl-1-(4-phenylphenyl)cyclohexanecarboxylic acid CAS Name: 3-fluoro-4-heptoxy-4-heptyl-1-(4-phenylphenyl)-1-cyclohexanecarboxylic acid IUPAC Name: 3-fluoro-4-heptoxy-4-heptyl-1-(4-phenylphenyl)cyclohexane-1-carboxylic acid Traditional Name: 3-fluoro-4-heptoxy-4-heptyl-1-(4-phenylphenyl)cyclohexanecarboxylic acid Formula: C33H47FO3 MolecularWeight: 510.722883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1F)(C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)OCCCCCCC

Isomeric SMILES

CCCCCCCC1(CCC(CC1F)(C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)OCCCCCCC

InChI

InChI=1S/C33H47FO3/c1-3-5-7-9-14-22-33(37-25-15-10-8-6-4-2)24-23-32(31(35)36,26-30(33)34)29-20-18-28(19-21-29)27-16-12-11-13-17-27/h11-13,16-21,30H,3-10,14-15,22-26H2,1-2H3,(H,35,36)