2-(4-fluoranyloct-1-yn-3-yloxycarbonyl)benzoic acid

Systemtic Name: 2-(4-fluoranyloct-1-yn-3-yloxycarbonyl)benzoic acid Openeye Name: 2-(1-ethynyl-2-fluoro-hexoxy)carbonylbenzoic acid CAS Name: 2-[4-fluorooct-1-yn-3-yloxy(oxo)methyl]benzoic acid IUPAC Name: 2-(4-fluorooct-1-yn-3-yloxycarbonyl)benzoic acid Traditional Name: 2-[1-(1-fluoropentyl)prop-2-ynoxycarbonyl]benzoic acid Formula: C16H17FO4 MolecularWeight: 292.302183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C#C)OC(=O)C1=CC=CC=C1C(=O)O)F

Isomeric SMILES

CCCCC(C(C#C)OC(=O)C1=CC=CC=C1C(=O)O)F

InChI

InChI=1S/C16H17FO4/c1-3-5-10-13(17)14(4-2)21-16(20)12-9-7-6-8-11(12)15(18)19/h2,6-9,13-14H,3,5,10H2,1H3,(H,18,19)