3-methylpentyl 4-(4-dodecanoyloxyphenyl)carbonyloxy-2-fluoranyl-benzoate

Systemtic Name: 3-methylpentyl 4-(4-dodecanoyloxyphenyl)carbonyloxy-2-fluoranyl-benzoate Openeye Name: 3-methylpentyl 4-(4-dodecanoyloxybenzoyl)oxy-2-fluoro-benzoate CAS Name: 2-fluoro-4-[oxo-[4-(1-oxododecoxy)phenyl]methoxy]benzoic acid 3-methylpentyl ester IUPAC Name: 3-methylpentyl 4-(4-dodecanoyloxybenzoyl)oxy-2-fluorobenzoate Traditional Name: 2-fluoro-4-(4-lauroyloxybenzoyl)oxy-benzoic acid 3-methylpentyl ester Formula: C32H43FO6 MolecularWeight: 542.678623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C(=O)OCCC(C)CC)F

Isomeric SMILES

CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C(=O)OCCC(C)CC)F

InChI

InChI=1S/C32H43FO6/c1-4-6-7-8-9-10-11-12-13-14-30(34)38-26-17-15-25(16-18-26)31(35)39-27-19-20-28(29(33)23-27)32(36)37-22-21-24(3)5-2/h15-20,23-24H,4-14,21-22H2,1-3H3