3-[2-[4-[2-ethyl-4-(4-fluorophenyl)-5-oxidanyl-phenoxy]butoxy]phenyl]propanoate

Systemtic Name: 3-[2-[4-[2-ethyl-4-(4-fluorophenyl)-5-oxidanyl-phenoxy]butoxy]phenyl]propanoate Openeye Name: 3-[2-[4-[2-ethyl-4-(4-fluorophenyl)-5-hydroxy-phenoxy]butoxy]phenyl]propanoate CAS Name: 3-[2-[4-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]butoxy]phenyl]propanoate IUPAC Name: 3-[2-[4-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]butoxy]phenyl]propanoate Traditional Name: 3-[2-[4-[2-ethyl-4-(4-fluorophenyl)-5-hydroxy-phenoxy]butoxy]phenyl]propionate Formula: C27H28FO5- MolecularWeight: 451.506623

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C2=CC=C(C=C2)F)O)OCCCCOC3=CC=CC=C3CCC(=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C(=C1)C2=CC=C(C=C2)F)O)OCCCCOC3=CC=CC=C3CCC(=O)[O-]

InChI

InChI=1S/C27H29FO5/c1-2-19-17-23(20-9-12-22(28)13-10-20)24(29)18-26(19)33-16-6-5-15-32-25-8-4-3-7-21(25)11-14-27(30)31/h3-4,7-10,12-13,17-18,29H,2,5-6,11,14-16H2,1H3,(H,30,31)/p-1