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

Systemtic Name: 5-methylhexan-2-yl 2-fluoranyl-4-[4-(4-undecoxyphenyl)phenyl]carbonyloxy-benzoate Openeye Name: 1,4-dimethylpentyl 2-fluoro-4-[4-(4-undecoxyphenyl)benzoyl]oxy-benzoate CAS Name: 2-fluoro-4-[oxo-[4-(4-undecoxyphenyl)phenyl]methoxy]benzoic acid 5-methylhexan-2-yl ester IUPAC Name: 5-methylhexan-2-yl 2-fluoro-4-[4-(4-undecoxyphenyl)benzoyl]oxybenzoate Traditional Name: 2-fluoro-4-[4-(4-undecoxyphenyl)benzoyl]oxy-benzoic acid 1,4-dimethylpentyl ester Formula: C38H49FO5 MolecularWeight: 604.791063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=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

CCCCCCCCCCCOC1=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/C38H49FO5/c1-5-6-7-8-9-10-11-12-13-26-42-33-22-20-31(21-23-33)30-16-18-32(19-17-30)37(40)44-34-24-25-35(36(39)27-34)38(41)43-29(4)15-14-28(2)3/h16-25,27-29H,5-15,26H2,1-4H3