2-(4-ethynylphenyl)-3-methyl-butanoic acid

Systemtic Name: 2-(4-ethynylphenyl)-3-methyl-butanoic acid Openeye Name: 2-(4-ethynylphenyl)-3-methyl-butanoic acid CAS Name: 2-(4-ethynylphenyl)-3-methylbutanoic acid IUPAC Name: 2-(4-ethynylphenyl)-3-methylbutanoic acid Traditional Name: 2-(4-ethynylphenyl)-3-methyl-butyric acid Formula: C13H14O2 MolecularWeight: 202.24906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O2/c1-4-10-5-7-11(8-6-10)12(9(2)3)13(14)15/h1,5-9,12H,2-3H3,(H,14,15)