[4-(3-fluoranyl-4-octoxy-phenyl)phenyl] 4-[(2S)-2-fluoranyloctanoyl]oxybenzoate

Systemtic Name: [4-(3-fluoranyl-4-octoxy-phenyl)phenyl] 4-[(2S)-2-fluoranyloctanoyl]oxybenzoate Openeye Name: [4-(3-fluoro-4-octoxy-phenyl)phenyl] 4-[(2S)-2-fluorooctanoyl]oxybenzoate CAS Name: 4-[(2S)-2-fluoro-1-oxooctoxy]benzoic acid [4-(3-fluoro-4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(3-fluoro-4-octoxyphenyl)phenyl] 4-[(2S)-2-fluorooctanoyl]oxybenzoate Traditional Name: 4-[(2S)-2-fluorooctanoyl]oxybenzoic acid [4-(3-fluoro-4-octoxy-phenyl)phenyl] ester Formula: C35H42F2O5 MolecularWeight: 580.701786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC(=O)C(CCCCCC)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC(=O)[C@H](CCCCCC)F)F

InChI

InChI=1S/C35H42F2O5/c1-3-5-7-9-10-12-24-40-33-23-18-28(25-32(33)37)26-14-19-29(20-15-26)41-34(38)27-16-21-30(22-17-27)42-35(39)31(36)13-11-8-6-4-2/h14-23,25,31H,3-13,24H2,1-2H3/t31-/m0/s1