2-methylbutyl 2-fluoranyl-3-[4-(4-tetradecoxyphenyl)carbonyloxyphenyl]benzoate

Systemtic Name: 2-methylbutyl 2-fluoranyl-3-[4-(4-tetradecoxyphenyl)carbonyloxyphenyl]benzoate Openeye Name: 2-methylbutyl 2-fluoro-3-[4-(4-tetradecoxybenzoyl)oxyphenyl]benzoate CAS Name: 2-fluoro-3-[4-[oxo-(4-tetradecoxyphenyl)methoxy]phenyl]benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 2-fluoro-3-[4-(4-tetradecoxybenzoyl)oxyphenyl]benzoate Traditional Name: 2-fluoro-3-[4-(4-myristyloxybenzoyl)oxyphenyl]benzoic acid 2-methylbutyl ester Formula: C39H51FO5 MolecularWeight: 618.817643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=C(C(=CC=C3)C(=O)OCC(C)CC)F

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=C(C(=CC=C3)C(=O)OCC(C)CC)F

InChI

InChI=1S/C39H51FO5/c1-4-6-7-8-9-10-11-12-13-14-15-16-28-43-33-24-22-32(23-25-33)38(41)45-34-26-20-31(21-27-34)35-18-17-19-36(37(35)40)39(42)44-29-30(3)5-2/h17-27,30H,4-16,28-29H2,1-3H3