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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H47FO3/c1-3-5-6-7-11-24-37-30(13-4-2)17-12-16-28-22-23-33(32(35)36,25-31(28)34)29-20-18-27(19-21-29)26-14-9-8-10-15-26/h8-10,14-15,18-21,28,30-31H,3-7,11-13,16-17,22-25H2,1-2H3,(H,35,36)