2-isothiocyanato-2-phenyl-ethanoic acid

Systemtic Name: 2-isothiocyanato-2-phenyl-ethanoic acid Openeye Name: 2-isothiocyanato-2-phenyl-acetic acid CAS Name: 2-isothiocyanato-2-phenylacetic acid IUPAC Name: 2-isothiocyanato-2-phenylacetic acid Traditional Name: 2-isothiocyanato-2-phenyl-acetic acid Formula: C9H7NO2S MolecularWeight: 193.22238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)N=C=S

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)N=C=S

InChI

InChI=1S/C9H7NO2S/c11-9(12)8(10-6-13)7-4-2-1-3-5-7/h1-5,8H,(H,11,12)