3-(3-fluoranyl-4-tridecoxy-phenyl)prop-2-ynoic acid

Systemtic Name: 3-(3-fluoranyl-4-tridecoxy-phenyl)prop-2-ynoic acid Openeye Name: 3-(3-fluoro-4-tridecoxy-phenyl)prop-2-ynoic acid CAS Name: 3-(3-fluoro-4-tridecoxyphenyl)-2-propynoic acid IUPAC Name: 3-(3-fluoro-4-tridecoxyphenyl)prop-2-ynoic acid Traditional Name: 3-(3-fluoro-4-tridecoxy-phenyl)propiolic acid Formula: C22H31FO3 MolecularWeight: 362.478143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=C(C=C(C=C1)C#CC(=O)O)F

Isomeric SMILES

CCCCCCCCCCCCCOC1=C(C=C(C=C1)C#CC(=O)O)F

InChI

InChI=1S/C22H31FO3/c1-2-3-4-5-6-7-8-9-10-11-12-17-26-21-15-13-19(18-20(21)23)14-16-22(24)25/h13,15,18H,2-12,17H2,1H3,(H,24,25)