2-(2,6-dimethyl-4-thiocyanato-phenoxy)ethanoic acid

Systemtic Name: 2-(2,6-dimethyl-4-thiocyanato-phenoxy)ethanoic acid Openeye Name: 2-(2,6-dimethyl-4-thiocyanato-phenoxy)acetic acid CAS Name: 2-(2,6-dimethyl-4-thiocyanatophenoxy)acetic acid IUPAC Name: 2-(2,6-dimethyl-4-thiocyanatophenoxy)acetic acid Traditional Name: 2-(2,6-dimethyl-4-thiocyanato-phenoxy)acetic acid Formula: C11H11NO3S MolecularWeight: 237.27494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)O)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)O)C)SC#N

InChI

InChI=1S/C11H11NO3S/c1-7-3-9(16-6-12)4-8(2)11(7)15-5-10(13)14/h3-4H,5H2,1-2H3,(H,13,14)