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4-azanyl-3-thiocyanato-benzoic acid

4-azanyl-3-thiocyanato-benzoic acid

Systemtic Name:4-azanyl-3-thiocyanato-benzoic acid
Openeye Name:4-amino-3-thiocyanato-benzoic acid
CAS Name:4-amino-3-thiocyanatobenzoic acid
IUPAC Name:4-amino-3-thiocyanatobenzoic acid
Traditional Name:4-amino-3-thiocyanato-benzoic acid
Formula: C8H6N2O2S
MolecularWeight: 194.21044
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)SC#N)N


Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)SC#N)N


InChI

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


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