2-(5-chloranyl-2-methyl-4-thiocyanato-phenoxy)ethanoic acid

Systemtic Name: 2-(5-chloranyl-2-methyl-4-thiocyanato-phenoxy)ethanoic acid Openeye Name: 2-(5-chloro-2-methyl-4-thiocyanato-phenoxy)acetic acid CAS Name: 2-(5-chloro-2-methyl-4-thiocyanatophenoxy)acetic acid IUPAC Name: 2-(5-chloro-2-methyl-4-thiocyanatophenoxy)acetic acid Traditional Name: 2-(5-chloro-2-methyl-4-thiocyanato-phenoxy)acetic acid Formula: C10H8ClNO3S MolecularWeight: 257.69342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8ClNO3S/c1-6-2-9(16-5-12)7(11)3-8(6)15-4-10(13)14/h2-3H,4H2,1H3,(H,13,14)