(3-carboxy-5-isothiocyanato-phenyl)boron

Systemtic Name: (3-carboxy-5-isothiocyanato-phenyl)boron Openeye Name: (3-carboxy-5-isothiocyanato-phenyl)boron CAS Name: (3-carboxy-5-isothiocyanatophenyl)boron IUPAC Name: (3-carboxy-5-isothiocyanatophenyl)boron Traditional Name: (3-carboxy-5-isothiocyanato-phenyl)boron Formula: C8H4BNO2S MolecularWeight: 188.99886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H4BNO2S/c9-6-1-5(8(11)12)2-7(3-6)10-4-13/h1-3H,(H,11,12)