3-fluoranyl-4-octan-2-yloxy-2-[4-(4-octoxyphenyl)phenyl]benzoic acid

Systemtic Name: 3-fluoranyl-4-octan-2-yloxy-2-[4-(4-octoxyphenyl)phenyl]benzoic acid Openeye Name: 3-fluoro-4-(1-methylheptoxy)-2-[4-(4-octoxyphenyl)phenyl]benzoic acid CAS Name: 3-fluoro-4-octan-2-yloxy-2-[4-(4-octoxyphenyl)phenyl]benzoic acid IUPAC Name: 3-fluoro-4-octan-2-yloxy-2-[4-(4-octoxyphenyl)phenyl]benzoic acid Traditional Name: 3-fluoro-4-(1-methylheptoxy)-2-[4-(4-octoxyphenyl)phenyl]benzoic acid Formula: C35H45FO4 MolecularWeight: 548.727803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C=CC(=C3F)OC(C)CCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C=CC(=C3F)OC(C)CCCCCC)C(=O)O

InChI

InChI=1S/C35H45FO4/c1-4-6-8-10-11-13-25-39-30-21-19-28(20-22-30)27-15-17-29(18-16-27)33-31(35(37)38)23-24-32(34(33)36)40-26(3)14-12-9-7-5-2/h15-24,26H,4-14,25H2,1-3H3,(H,37,38)