2-(2-chloranyl-6-isothiocyanato-3,4-dimethoxy-phenyl)ethanoic acid

Systemtic Name: 2-(2-chloranyl-6-isothiocyanato-3,4-dimethoxy-phenyl)ethanoic acid Openeye Name: 2-(2-chloro-6-isothiocyanato-3,4-dimethoxy-phenyl)acetic acid CAS Name: 2-(2-chloro-6-isothiocyanato-3,4-dimethoxyphenyl)acetic acid IUPAC Name: 2-(2-chloro-6-isothiocyanato-3,4-dimethoxyphenyl)acetic acid Traditional Name: 2-(2-chloro-6-isothiocyanato-3,4-dimethoxy-phenyl)acetic acid Formula: C11H10ClNO4S MolecularWeight: 287.7194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)N=C=S)CC(=O)O)Cl)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)N=C=S)CC(=O)O)Cl)OC

InChI

InChI=1S/C11H10ClNO4S/c1-16-8-4-7(13-5-18)6(3-9(14)15)10(12)11(8)17-2/h4H,3H2,1-2H3,(H,14,15)