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2-fluoranyl-4-[2-methyl-4-(oct-1-yn-3-yloxymethyl)phenyl]benzoic acid

2-fluoranyl-4-[2-methyl-4-(oct-1-yn-3-yloxymethyl)phenyl]benzoic acid

Systemtic Name:2-fluoranyl-4-[2-methyl-4-(oct-1-yn-3-yloxymethyl)phenyl]benzoic acid
Openeye Name:4-[4-(1-ethynylhexoxymethyl)-2-methyl-phenyl]-2-fluoro-benzoic acid
CAS Name:2-fluoro-4-[2-methyl-4-(oct-1-yn-3-yloxymethyl)phenyl]benzoic acid
IUPAC Name:2-fluoro-4-[2-methyl-4-(oct-1-yn-3-yloxymethyl)phenyl]benzoic acid
Traditional Name:4-[4-(1-amylprop-2-ynoxymethyl)-2-methyl-phenyl]-2-fluoro-benzoic acid
Formula: C23H25FO3
MolecularWeight: 368.441203
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C#C)OCC1=CC(=C(C=C1)C2=CC(=C(C=C2)C(=O)O)F)C


Isomeric SMILES

CCCCCC(C#C)OCC1=CC(=C(C=C1)C2=CC(=C(C=C2)C(=O)O)F)C


InChI

InChI=1S/C23H25FO3/c1-4-6-7-8-19(5-2)27-15-17-9-11-20(16(3)13-17)18-10-12-21(23(25)26)22(24)14-18/h2,9-14,19H,4,6-8,15H2,1,3H3,(H,25,26)


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