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

Systemtic Name: 5-methylhexan-2-yl 4-[4-(4-decoxyphenyl)phenyl]carbonyloxy-2-fluoranyl-benzoate Openeye Name: 1,4-dimethylpentyl 4-[4-(4-decoxyphenyl)benzoyl]oxy-2-fluoro-benzoate CAS Name: 4-[[4-(4-decoxyphenyl)phenyl]-oxomethoxy]-2-fluorobenzoic acid 5-methylhexan-2-yl ester IUPAC Name: 5-methylhexan-2-yl 4-[4-(4-decoxyphenyl)benzoyl]oxy-2-fluorobenzoate Traditional Name: 4-[4-(4-decoxyphenyl)benzoyl]oxy-2-fluoro-benzoic acid 1,4-dimethylpentyl ester Formula: C37H47FO5 MolecularWeight: 590.764483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=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

CCCCCCCCCCOC1=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/C37H47FO5/c1-5-6-7-8-9-10-11-12-25-41-32-21-19-30(20-22-32)29-15-17-31(18-16-29)36(39)43-33-23-24-34(35(38)26-33)37(40)42-28(4)14-13-27(2)3/h15-24,26-28H,5-14,25H2,1-4H3