octan-2-yl 4-[4-(4-butylcyclohexyl)-2-fluoranyl-phenyl]benzoate

Systemtic Name: octan-2-yl 4-[4-(4-butylcyclohexyl)-2-fluoranyl-phenyl]benzoate Openeye Name: 1-methylheptyl 4-[4-(4-butylcyclohexyl)-2-fluoro-phenyl]benzoate CAS Name: 4-[4-(4-butylcyclohexyl)-2-fluorophenyl]benzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-[4-(4-butylcyclohexyl)-2-fluorophenyl]benzoate Traditional Name: 4-[4-(4-butylcyclohexyl)-2-fluoro-phenyl]benzoic acid 1-methylheptyl ester Formula: C31H43FO2 MolecularWeight: 466.670323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)C3CCC(CC3)CCCC)F

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)C3CCC(CC3)CCCC)F

InChI

InChI=1S/C31H43FO2/c1-4-6-8-9-10-23(3)34-31(33)27-18-16-26(17-19-27)29-21-20-28(22-30(29)32)25-14-12-24(13-15-25)11-7-5-2/h16-25H,4-15H2,1-3H3