2-(4-tert-butyl-2-methyl-5-oxidanyl-phenyl)ethanoic acid

Systemtic Name: 2-(4-tert-butyl-2-methyl-5-oxidanyl-phenyl)ethanoic acid Openeye Name: 2-(4-tert-butyl-5-hydroxy-2-methyl-phenyl)acetic acid CAS Name: 2-(4-tert-butyl-5-hydroxy-2-methylphenyl)acetic acid IUPAC Name: 2-(4-tert-butyl-5-hydroxy-2-methylphenyl)acetic acid Traditional Name: 2-(4-tert-butyl-5-hydroxy-2-methyl-phenyl)acetic acid Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CC(=O)O)O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1CC(=O)O)O)C(C)(C)C

InChI

InChI=1S/C13H18O3/c1-8-5-10(13(2,3)4)11(14)6-9(8)7-12(15)16/h5-6,14H,7H2,1-4H3,(H,15,16)