3-isothiocyanatobenzoate

Systemtic Name: 3-isothiocyanatobenzoate Openeye Name: 3-isothiocyanatobenzoate CAS Name: 3-isothiocyanatobenzoate IUPAC Name: 3-isothiocyanatobenzoate Traditional Name: 3-isothiocyanatobenzoate Formula: C8H4NO2S- MolecularWeight: 178.18786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N=C=S)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)N=C=S)C(=O)[O-]

InChI

InChI=1S/C8H5NO2S/c10-8(11)6-2-1-3-7(4-6)9-5-12/h1-4H,(H,10,11)/p-1