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2-azanyl-5-isothiocyanato-benzoate

2-azanyl-5-isothiocyanato-benzoate

Systemtic Name:2-azanyl-5-isothiocyanato-benzoate
Openeye Name:2-amino-5-isothiocyanato-benzoate
CAS Name:2-amino-5-isothiocyanatobenzoate
IUPAC Name:2-amino-5-isothiocyanatobenzoate
Traditional Name:2-amino-5-isothiocyanato-benzoate
Formula: C8H5N2O2S-
MolecularWeight: 193.2025
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N=C=S)C(=O)[O-])N


Isomeric SMILES

C1=CC(=C(C=C1N=C=S)C(=O)[O-])N


InChI

InChI=1S/C8H6N2O2S/c9-7-2-1-5(10-4-13)3-6(7)8(11)12/h1-3H,9H2,(H,11,12)/p-1


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