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4-[4-[2-(4-decoxy-3-fluoranyl-phenyl)ethynyl]phenyl]benzoic acid

4-[4-[2-(4-decoxy-3-fluoranyl-phenyl)ethynyl]phenyl]benzoic acid

Systemtic Name:4-[4-[2-(4-decoxy-3-fluoranyl-phenyl)ethynyl]phenyl]benzoic acid
Openeye Name:4-[4-[2-(4-decoxy-3-fluoro-phenyl)ethynyl]phenyl]benzoic acid
CAS Name:4-[4-[2-(4-decoxy-3-fluorophenyl)ethynyl]phenyl]benzoic acid
IUPAC Name:4-[4-[2-(4-decoxy-3-fluorophenyl)ethynyl]phenyl]benzoic acid
Traditional Name:4-[4-[2-(4-decoxy-3-fluoro-phenyl)ethynyl]phenyl]benzoic acid
Formula: C31H33FO3
MolecularWeight: 472.590323
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O)F


Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O)F


InChI

InChI=1S/C31H33FO3/c1-2-3-4-5-6-7-8-9-22-35-30-21-14-25(23-29(30)32)11-10-24-12-15-26(16-13-24)27-17-19-28(20-18-27)31(33)34/h12-21,23H,2-9,22H2,1H3,(H,33,34)


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