2-(2,5-dimethyl-4-thiocyanato-phenoxy)ethanoic acid

Systemtic Name: 2-(2,5-dimethyl-4-thiocyanato-phenoxy)ethanoic acid Openeye Name: 2-(2,5-dimethyl-4-thiocyanato-phenoxy)acetic acid CAS Name: 2-(2,5-dimethyl-4-thiocyanatophenoxy)acetic acid IUPAC Name: 2-(2,5-dimethyl-4-thiocyanatophenoxy)acetic acid Traditional Name: 2-(2,5-dimethyl-4-thiocyanato-phenoxy)acetic acid Formula: C11H11NO3S MolecularWeight: 237.27494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1SC#N)C)OCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1SC#N)C)OCC(=O)O

InChI

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