2-[2-methyl-3-(3-oxidanylprop-1-ynyl)phenoxy]ethanoic acid

Systemtic Name: 2-[2-methyl-3-(3-oxidanylprop-1-ynyl)phenoxy]ethanoic acid Openeye Name: 2-[3-(3-hydroxyprop-1-ynyl)-2-methyl-phenoxy]acetic acid CAS Name: 2-[3-(3-hydroxyprop-1-ynyl)-2-methylphenoxy]acetic acid IUPAC Name: 2-[3-(3-hydroxyprop-1-ynyl)-2-methylphenoxy]acetic acid Traditional Name: 2-[3-(3-hydroxyprop-1-ynyl)-2-methyl-phenoxy]acetic acid Formula: C12H12O4 MolecularWeight: 220.22128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1OCC(=O)O)C#CCO

Isomeric SMILES

CC1=C(C=CC=C1OCC(=O)O)C#CCO

InChI

InChI=1S/C12H12O4/c1-9-10(5-3-7-13)4-2-6-11(9)16-8-12(14)15/h2,4,6,13H,7-8H2,1H3,(H,14,15)