(4-nonoxyphenyl) 4-(3-fluoranyl-4-hexyl-phenyl)benzoate

Systemtic Name: (4-nonoxyphenyl) 4-(3-fluoranyl-4-hexyl-phenyl)benzoate Openeye Name: (4-nonoxyphenyl) 4-(3-fluoro-4-hexyl-phenyl)benzoate CAS Name: 4-(3-fluoro-4-hexylphenyl)benzoic acid (4-nonoxyphenyl) ester IUPAC Name: (4-nonoxyphenyl) 4-(3-fluoro-4-hexylphenyl)benzoate Traditional Name: 4-(3-fluoro-4-hexyl-phenyl)benzoic acid (4-nonoxyphenyl) ester Formula: C34H43FO3 MolecularWeight: 518.701823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)CCCCCC)F

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)CCCCCC)F

InChI

InChI=1S/C34H43FO3/c1-3-5-7-9-10-11-13-25-37-31-21-23-32(24-22-31)38-34(36)29-18-15-27(16-19-29)30-20-17-28(33(35)26-30)14-12-8-6-4-2/h15-24,26H,3-14,25H2,1-2H3