[4-[(2S)-2-octoxypropanoyl]oxyphenyl] 3-fluoranyl-4-octoxy-benzoate

Systemtic Name: [4-[(2S)-2-octoxypropanoyl]oxyphenyl] 3-fluoranyl-4-octoxy-benzoate Openeye Name: [4-[(2S)-2-octoxypropanoyl]oxyphenyl] 3-fluoro-4-octoxy-benzoate CAS Name: 3-fluoro-4-octoxybenzoic acid [4-[(2S)-2-octoxy-1-oxopropoxy]phenyl] ester IUPAC Name: [4-[(2S)-2-octoxypropanoyl]oxyphenyl] 3-fluoro-4-octoxybenzoate Traditional Name: 3-fluoro-4-octoxy-benzoic acid [4-[(2S)-2-octoxypropanoyl]oxyphenyl] ester Formula: C32H45FO6 MolecularWeight: 544.694503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)OC(=O)C(C)OCCCCCCCC)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)OC(=O)[C@H](C)OCCCCCCCC)F

InChI

InChI=1S/C32H45FO6/c1-4-6-8-10-12-14-22-36-25(3)31(34)38-27-17-19-28(20-18-27)39-32(35)26-16-21-30(29(33)24-26)37-23-15-13-11-9-7-5-2/h16-21,24-25H,4-15,22-23H2,1-3H3/t25-/m0/s1