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

Systemtic Name: 3-(2,4,6-trimethylphenyl)prop-2-ynoic acid Openeye Name: 3-(2,4,6-trimethylphenyl)prop-2-ynoic acid CAS Name: 3-(2,4,6-trimethylphenyl)-2-propynoic acid IUPAC Name: 3-(2,4,6-trimethylphenyl)prop-2-ynoic acid Traditional Name: 3-mesitylpropiolic acid Formula: C12H12O2 MolecularWeight: 188.22248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C#CC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C#CC(=O)O)C

InChI

InChI=1S/C12H12O2/c1-8-6-9(2)11(10(3)7-8)4-5-12(13)14/h6-7H,1-3H3,(H,13,14)