[4-(4-octoxycarbonylphenyl)phenyl] 3-fluoranyl-4-octan-2-yloxy-benzoate

Systemtic Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-fluoranyl-4-octan-2-yloxy-benzoate Openeye Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-fluoro-4-(1-methylheptoxy)benzoate CAS Name: 3-fluoro-4-octan-2-yloxybenzoic acid [4-[4-[octoxy(oxo)methyl]phenyl]phenyl] ester IUPAC Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-fluoro-4-octan-2-yloxybenzoate Traditional Name: 3-fluoro-4-(1-methylheptoxy)benzoic acid [4-(4-octoxycarbonylphenyl)phenyl] ester Formula: C36H45FO5 MolecularWeight: 576.737903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H45FO5/c1-4-6-8-10-11-13-25-40-35(38)30-17-15-28(16-18-30)29-19-22-32(23-20-29)42-36(39)31-21-24-34(33(37)26-31)41-27(3)14-12-9-7-5-2/h15-24,26-27H,4-14,25H2,1-3H3