2-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)ethanoic acid

Systemtic Name: 2-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)ethanoic acid Openeye Name: 2-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)acetic acid CAS Name: 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)acetic acid IUPAC Name: 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)acetic acid Traditional Name: 2-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)acetic acid Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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