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

Systemtic Name: 5-ethylheptan-2-yl 2-fluoranyl-4-[4-(4-nonoxyphenyl)phenyl]carbonyloxy-benzoate Openeye Name: (4-ethyl-1-methyl-hexyl) 2-fluoro-4-[4-(4-nonoxyphenyl)benzoyl]oxy-benzoate CAS Name: 2-fluoro-4-[[4-(4-nonoxyphenyl)phenyl]-oxomethoxy]benzoic acid 5-ethylheptan-2-yl ester IUPAC Name: 5-ethylheptan-2-yl 2-fluoro-4-[4-(4-nonoxyphenyl)benzoyl]oxybenzoate Traditional Name: 2-fluoro-4-[4-(4-nonoxyphenyl)benzoyl]oxy-benzoic acid (4-ethyl-1-methyl-hexyl) ester Formula: C38H49FO5 MolecularWeight: 604.791063

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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(CC)CC)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(CC)CC)F

InChI

InChI=1S/C38H49FO5/c1-5-8-9-10-11-12-13-26-42-33-22-20-31(21-23-33)30-16-18-32(19-17-30)37(40)44-34-24-25-35(36(39)27-34)38(41)43-28(4)14-15-29(6-2)7-3/h16-25,27-29H,5-15,26H2,1-4H3