(4-heptan-2-yloxyphenyl) 2-(4-decanoyloxy-2-fluoranyl-phenyl)benzoate

Systemtic Name: (4-heptan-2-yloxyphenyl) 2-(4-decanoyloxy-2-fluoranyl-phenyl)benzoate Openeye Name: [4-(1-methylhexoxy)phenyl] 2-(4-decanoyloxy-2-fluoro-phenyl)benzoate CAS Name: 2-[2-fluoro-4-(1-oxodecoxy)phenyl]benzoic acid (4-heptan-2-yloxyphenyl) ester IUPAC Name: (4-heptan-2-yloxyphenyl) 2-(4-decanoyloxy-2-fluorophenyl)benzoate Traditional Name: 2-(4-capryloxy-2-fluoro-phenyl)benzoic acid [4-(1-methylhexoxy)phenyl] ester Formula: C36H45FO5 MolecularWeight: 576.737903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)OC3=CC=C(C=C3)OC(C)CCCCC)F

Isomeric SMILES

CCCCCCCCCC(=O)OC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)OC3=CC=C(C=C3)OC(C)CCCCC)F

InChI

InChI=1S/C36H45FO5/c1-4-6-8-9-10-11-13-19-35(38)41-30-24-25-32(34(37)26-30)31-17-14-15-18-33(31)36(39)42-29-22-20-28(21-23-29)40-27(3)16-12-7-5-2/h14-15,17-18,20-27H,4-13,16,19H2,1-3H3