6-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)hex-2-ynoic acid

Systemtic Name: 6-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)hex-2-ynoic acid Openeye Name: 6-(4-acetyl-3-hydroxy-2-propyl-phenoxy)hex-2-ynoic acid CAS Name: 6-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hexynoic acid IUPAC Name: 6-(4-acetyl-3-hydroxy-2-propylphenoxy)hex-2-ynoic acid Traditional Name: 6-(4-acetyl-3-hydroxy-2-propyl-phenoxy)hex-2-ynoic acid Formula: C17H20O5 MolecularWeight: 304.3377

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCC#CC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCC#CC(=O)O

InChI

InChI=1S/C17H20O5/c1-3-7-14-15(10-9-13(12(2)18)17(14)21)22-11-6-4-5-8-16(19)20/h9-10,21H,3-4,6-7,11H2,1-2H3,(H,19,20)