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

Systemtic Name: (4-heptan-4-yloxycarbonylphenyl) 2-fluoranyl-4-(4-nonoxyphenyl)benzoate Openeye Name: [4-(1-propylbutoxycarbonyl)phenyl] 2-fluoro-4-(4-nonoxyphenyl)benzoate CAS Name: 2-fluoro-4-(4-nonoxyphenyl)benzoic acid [4-[heptan-4-yloxy(oxo)methyl]phenyl] ester IUPAC Name: (4-heptan-4-yloxycarbonylphenyl) 2-fluoro-4-(4-nonoxyphenyl)benzoate Traditional Name: 2-fluoro-4-(4-nonoxyphenyl)benzoic acid [4-(1-propylbutoxycarbonyl)phenyl] ester Formula: C36H45FO5 MolecularWeight: 576.737903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(CCC)CCC)F

Isomeric SMILES

CCCCCCCCCOC1=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/C36H45FO5/c1-4-7-8-9-10-11-12-25-40-30-20-15-27(16-21-30)29-19-24-33(34(37)26-29)36(39)42-32-22-17-28(18-23-32)35(38)41-31(13-5-2)14-6-3/h15-24,26,31H,4-14,25H2,1-3H3