(4-hexoxyphenyl) 4-(3-fluoranyl-4-nonyl-phenyl)benzoate

Systemtic Name: (4-hexoxyphenyl) 4-(3-fluoranyl-4-nonyl-phenyl)benzoate Openeye Name: (4-hexoxyphenyl) 4-(3-fluoro-4-nonyl-phenyl)benzoate CAS Name: 4-(3-fluoro-4-nonylphenyl)benzoic acid (4-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 4-(3-fluoro-4-nonylphenyl)benzoate Traditional Name: 4-(3-fluoro-4-nonyl-phenyl)benzoic acid (4-hexoxyphenyl) ester Formula: C34H43FO3 MolecularWeight: 518.701823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCC)F

Isomeric SMILES

CCCCCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCC)F

InChI

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