2-(2-methyl-4-thiocyanato-phenoxy)ethanoic acid

Systemtic Name: 2-(2-methyl-4-thiocyanato-phenoxy)ethanoic acid Openeye Name: 2-(2-methyl-4-thiocyanato-phenoxy)acetic acid CAS Name: 2-(2-methyl-4-thiocyanatophenoxy)acetic acid IUPAC Name: 2-(2-methyl-4-thiocyanatophenoxy)acetic acid Traditional Name: 2-(2-methyl-4-thiocyanato-phenoxy)acetic acid Formula: C10H9NO3S MolecularWeight: 223.24836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO3S/c1-7-4-8(15-6-11)2-3-9(7)14-5-10(12)13/h2-4H,5H2,1H3,(H,12,13)