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

Systemtic Name: 3-(3-fluoranyl-4-hexadecoxy-phenyl)prop-2-ynoic acid Openeye Name: 3-(3-fluoro-4-hexadecoxy-phenyl)prop-2-ynoic acid CAS Name: 3-(3-fluoro-4-hexadecoxyphenyl)-2-propynoic acid IUPAC Name: 3-(3-fluoro-4-hexadecoxyphenyl)prop-2-ynoic acid Traditional Name: 3-(4-cetyloxy-3-fluoro-phenyl)propiolic acid Formula: C25H37FO3 MolecularWeight: 404.557883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C#CC(=O)O)F

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C#CC(=O)O)F

InChI

InChI=1S/C25H37FO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-29-24-18-16-22(21-23(24)26)17-19-25(27)28/h16,18,21H,2-15,20H2,1H3,(H,27,28)