5-methylhexan-2-yl 2-fluoranyl-4-[4-(4-nonoxyphenyl)phenyl]carbonyloxy-benzoate

Systemtic Name: 5-methylhexan-2-yl 2-fluoranyl-4-[4-(4-nonoxyphenyl)phenyl]carbonyloxy-benzoate Openeye Name: 1,4-dimethylpentyl 2-fluoro-4-[4-(4-nonoxyphenyl)benzoyl]oxy-benzoate CAS Name: 2-fluoro-4-[[4-(4-nonoxyphenyl)phenyl]-oxomethoxy]benzoic acid 5-methylhexan-2-yl ester IUPAC Name: 5-methylhexan-2-yl 2-fluoro-4-[4-(4-nonoxyphenyl)benzoyl]oxybenzoate Traditional Name: 2-fluoro-4-[4-(4-nonoxyphenyl)benzoyl]oxy-benzoic acid 1,4-dimethylpentyl 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(C)CCC(C)C)F

Isomeric SMILES

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

InChI

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