(4-heptan-4-yloxycarbonylphenyl) 2-fluoranyl-4-(4-nonylphenyl)benzoate

Systemtic Name: (4-heptan-4-yloxycarbonylphenyl) 2-fluoranyl-4-(4-nonylphenyl)benzoate Openeye Name: [4-(1-propylbutoxycarbonyl)phenyl] 2-fluoro-4-(4-nonylphenyl)benzoate CAS Name: 2-fluoro-4-(4-nonylphenyl)benzoic acid [4-[heptan-4-yloxy(oxo)methyl]phenyl] ester IUPAC Name: (4-heptan-4-yloxycarbonylphenyl) 2-fluoro-4-(4-nonylphenyl)benzoate Traditional Name: 2-fluoro-4-(4-nonylphenyl)benzoic acid [4-(1-propylbutoxycarbonyl)phenyl] ester Formula: C36H45FO4 MolecularWeight: 560.738503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H45FO4/c1-4-7-8-9-10-11-12-15-27-16-18-28(19-17-27)30-22-25-33(34(37)26-30)36(39)41-32-23-20-29(21-24-32)35(38)40-31(13-5-2)14-6-3/h16-26,31H,4-15H2,1-3H3