2-(3-isothiocyanatophenyl)ethanoic acid

Systemtic Name: 2-(3-isothiocyanatophenyl)ethanoic acid Openeye Name: 2-(3-isothiocyanatophenyl)acetic acid CAS Name: 2-(3-isothiocyanatophenyl)acetic acid IUPAC Name: 2-(3-isothiocyanatophenyl)acetic acid Traditional Name: 2-(3-isothiocyanatophenyl)acetic acid Formula: C9H7NO2S MolecularWeight: 193.22238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7NO2S/c11-9(12)5-7-2-1-3-8(4-7)10-6-13/h1-4H,5H2,(H,11,12)