2-(5-tert-butyl-2-methyl-4-sulfanyl-phenoxy)ethanoic acid

Systemtic Name: 2-(5-tert-butyl-2-methyl-4-sulfanyl-phenoxy)ethanoic acid Openeye Name: 2-(5-tert-butyl-2-methyl-4-sulfanyl-phenoxy)acetic acid CAS Name: 2-(5-tert-butyl-4-mercapto-2-methylphenoxy)acetic acid IUPAC Name: 2-(5-tert-butyl-2-methyl-4-sulfanylphenoxy)acetic acid Traditional Name: 2-(5-tert-butyl-4-mercapto-2-methyl-phenoxy)acetic acid Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)S)C(C)(C)C)OCC(=O)O

Isomeric SMILES

CC1=C(C=C(C(=C1)S)C(C)(C)C)OCC(=O)O

InChI

InChI=1S/C13H18O3S/c1-8-5-11(17)9(13(2,3)4)6-10(8)16-7-12(14)15/h5-6,17H,7H2,1-4H3,(H,14,15)