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

Systemtic Name: 2-(5-tert-butyl-2-methyl-4-thiocyanato-phenoxy)ethanoic acid Openeye Name: 2-(5-tert-butyl-2-methyl-4-thiocyanato-phenoxy)acetic acid CAS Name: 2-(5-tert-butyl-2-methyl-4-thiocyanatophenoxy)acetic acid IUPAC Name: 2-(5-tert-butyl-2-methyl-4-thiocyanatophenoxy)acetic acid Traditional Name: 2-(5-tert-butyl-2-methyl-4-thiocyanato-phenoxy)acetic acid Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC#N)C(C)(C)C)OCC(=O)O

Isomeric SMILES

CC1=C(C=C(C(=C1)SC#N)C(C)(C)C)OCC(=O)O

InChI

InChI=1S/C14H17NO3S/c1-9-5-12(19-8-15)10(14(2,3)4)6-11(9)18-7-13(16)17/h5-6H,7H2,1-4H3,(H,16,17)