(4-heptoxyphenyl) 4-[3-fluoranyl-4-(6-methyloctoxy)phenyl]benzoate

Systemtic Name: (4-heptoxyphenyl) 4-[3-fluoranyl-4-(6-methyloctoxy)phenyl]benzoate Openeye Name: (4-heptoxyphenyl) 4-[3-fluoro-4-(6-methyloctoxy)phenyl]benzoate CAS Name: 4-[3-fluoro-4-(6-methyloctoxy)phenyl]benzoic acid (4-heptoxyphenyl) ester IUPAC Name: (4-heptoxyphenyl) 4-[3-fluoro-4-(6-methyloctoxy)phenyl]benzoate Traditional Name: 4-[3-fluoro-4-(6-methyloctoxy)phenyl]benzoic acid (4-heptoxyphenyl) ester Formula: C35H45FO4 MolecularWeight: 548.727803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)OCCCCCC(C)CC)F

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)OCCCCCC(C)CC)F

InChI

InChI=1S/C35H45FO4/c1-4-6-7-8-11-24-38-31-19-21-32(22-20-31)40-35(37)29-16-14-28(15-17-29)30-18-23-34(33(36)26-30)39-25-12-9-10-13-27(3)5-2/h14-23,26-27H,4-13,24-25H2,1-3H3