3-(2,4,6-trimethylphenyl)-1,2-oxazole-4-carboxylic acid

Systemtic Name: 3-(2,4,6-trimethylphenyl)-1,2-oxazole-4-carboxylic acid Openeye Name: 3-(2,4,6-trimethylphenyl)isoxazole-4-carboxylic acid CAS Name: 3-(2,4,6-trimethylphenyl)-4-isoxazolecarboxylic acid IUPAC Name: 3-(2,4,6-trimethylphenyl)-1,2-oxazole-4-carboxylic acid Traditional Name: 3-mesitylisoxazole-4-carboxylic acid Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=NOC=C2C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=NOC=C2C(=O)O)C

InChI

InChI=1S/C13H13NO3/c1-7-4-8(2)11(9(3)5-7)12-10(13(15)16)6-17-14-12/h4-6H,1-3H3,(H,15,16)