5-ethynyl-2-octoxy-benzoic acid

Systemtic Name: 5-ethynyl-2-octoxy-benzoic acid Openeye Name: 5-ethynyl-2-octoxy-benzoic acid CAS Name: 5-ethynyl-2-octoxybenzoic acid IUPAC Name: 5-ethynyl-2-octoxybenzoic acid Traditional Name: 5-ethynyl-2-octoxy-benzoic acid Formula: C17H22O3 MolecularWeight: 274.35478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C#C)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C#C)C(=O)O

InChI

InChI=1S/C17H22O3/c1-3-5-6-7-8-9-12-20-16-11-10-14(4-2)13-15(16)17(18)19/h2,10-11,13H,3,5-9,12H2,1H3,(H,18,19)