[2,3-bis(fluoranyl)-6-hexyl-4-(4-phenylphenyl)phenyl] 8-cyclopentyloctanoate

Systemtic Name: [2,3-bis(fluoranyl)-6-hexyl-4-(4-phenylphenyl)phenyl] 8-cyclopentyloctanoate Openeye Name: [2,3-difluoro-6-hexyl-4-(4-phenylphenyl)phenyl] 8-cyclopentyloctanoate CAS Name: 8-cyclopentyloctanoic acid [2,3-difluoro-6-hexyl-4-(4-phenylphenyl)phenyl] ester IUPAC Name: [2,3-difluoro-6-hexyl-4-(4-phenylphenyl)phenyl] 8-cyclopentyloctanoate Traditional Name: 8-cyclopentylcaprylic acid [2,3-difluoro-6-hexyl-4-(4-phenylphenyl)phenyl] ester Formula: C37H46F2O2 MolecularWeight: 560.756746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C(=C1)C2=CC=C(C=C2)C3=CC=CC=C3)F)F)OC(=O)CCCCCCCC4CCCC4

Isomeric SMILES

CCCCCCC1=C(C(=C(C(=C1)C2=CC=C(C=C2)C3=CC=CC=C3)F)F)OC(=O)CCCCCCCC4CCCC4

InChI

InChI=1S/C37H46F2O2/c1-2-3-4-10-21-32-27-33(31-25-23-30(24-26-31)29-19-11-8-12-20-29)35(38)36(39)37(32)41-34(40)22-13-7-5-6-9-16-28-17-14-15-18-28/h8,11-12,19-20,23-28H,2-7,9-10,13-18,21-22H2,1H3