[(2S)-2-methylbutyl] 4-[4-(4-dodecoxyphenyl)phenyl]carbonyloxy-3-fluoranyl-benzoate

Systemtic Name: [(2S)-2-methylbutyl] 4-[4-(4-dodecoxyphenyl)phenyl]carbonyloxy-3-fluoranyl-benzoate Openeye Name: [(2S)-2-methylbutyl] 4-[4-(4-dodecoxyphenyl)benzoyl]oxy-3-fluoro-benzoate CAS Name: 4-[[4-(4-dodecoxyphenyl)phenyl]-oxomethoxy]-3-fluorobenzoic acid [(2S)-2-methylbutyl] ester IUPAC Name: [(2S)-2-methylbutyl] 4-[4-(4-dodecoxyphenyl)benzoyl]oxy-3-fluorobenzoate Traditional Name: 3-fluoro-4-[4-(4-lauryloxyphenyl)benzoyl]oxy-benzoic acid [(2S)-2-methylbutyl] ester Formula: C37H47FO5 MolecularWeight: 590.764483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)C(=O)OCC(C)CC)F

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)C(=O)OC[C@@H](C)CC)F

InChI

InChI=1S/C37H47FO5/c1-4-6-7-8-9-10-11-12-13-14-25-41-33-22-19-30(20-23-33)29-15-17-31(18-16-29)37(40)43-35-24-21-32(26-34(35)38)36(39)42-27-28(3)5-2/h15-24,26,28H,4-14,25,27H2,1-3H3/t28-/m0/s1