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

Systemtic Name: 3-(4-dodecoxy-3-fluoranyl-phenyl)prop-2-ynoic acid Openeye Name: 3-(4-dodecoxy-3-fluoro-phenyl)prop-2-ynoic acid CAS Name: 3-(4-dodecoxy-3-fluorophenyl)-2-propynoic acid IUPAC Name: 3-(4-dodecoxy-3-fluorophenyl)prop-2-ynoic acid Traditional Name: 3-(3-fluoro-4-lauryloxy-phenyl)propiolic acid Formula: C21H29FO3 MolecularWeight: 348.451563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C#CC(=O)O)F

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C#CC(=O)O)F

InChI

InChI=1S/C21H29FO3/c1-2-3-4-5-6-7-8-9-10-11-16-25-20-14-12-18(17-19(20)22)13-15-21(23)24/h12,14,17H,2-11,16H2,1H3,(H,23,24)