3-(2,3,4,6-tetramethylphenyl)prop-2-ynoic acid

Systemtic Name: 3-(2,3,4,6-tetramethylphenyl)prop-2-ynoic acid Openeye Name: 3-(2,3,4,6-tetramethylphenyl)prop-2-ynoic acid CAS Name: 3-(2,3,4,6-tetramethylphenyl)-2-propynoic acid IUPAC Name: 3-(2,3,4,6-tetramethylphenyl)prop-2-ynoic acid Traditional Name: 3-(2,3,4,6-tetramethylphenyl)propiolic acid Formula: C13H14O2 MolecularWeight: 202.24906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C#CC(=O)O)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C#CC(=O)O)C)C)C

InChI

InChI=1S/C13H14O2/c1-8-7-9(2)12(5-6-13(14)15)11(4)10(8)3/h7H,1-4H3,(H,14,15)