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

Systemtic Name: (4-nonoxyphenyl) 4-(3-fluoranyl-4-heptyl-phenyl)benzoate Openeye Name: (4-nonoxyphenyl) 4-(3-fluoro-4-heptyl-phenyl)benzoate CAS Name: 4-(3-fluoro-4-heptylphenyl)benzoic acid (4-nonoxyphenyl) ester IUPAC Name: (4-nonoxyphenyl) 4-(3-fluoro-4-heptylphenyl)benzoate Traditional Name: 4-(3-fluoro-4-heptyl-phenyl)benzoic acid (4-nonoxyphenyl) ester Formula: C35H45FO3 MolecularWeight: 532.728403

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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)CCCCCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C35H45FO3/c1-3-5-7-9-10-12-14-26-38-32-22-24-33(25-23-32)39-35(37)30-19-16-28(17-20-30)31-21-18-29(34(36)27-31)15-13-11-8-6-4-2/h16-25,27H,3-15,26H2,1-2H3