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3-isothiocyanatothiophene-2-carboxylic acid

3-isothiocyanatothiophene-2-carboxylic acid

Systemtic Name:3-isothiocyanatothiophene-2-carboxylic acid
Openeye Name:3-isothiocyanatothiophene-2-carboxylic acid
CAS Name:3-isothiocyanato-2-thiophenecarboxylic acid
IUPAC Name:3-isothiocyanatothiophene-2-carboxylic acid
Traditional Name:3-isothiocyanato-2-thenoic acid
Formula: C6H3NO2S2
MolecularWeight: 185.22352
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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1N=C=S)C(=O)O


Isomeric SMILES

C1=CSC(=C1N=C=S)C(=O)O


InChI

InChI=1S/C6H3NO2S2/c8-6(9)5-4(7-3-10)1-2-11-5/h1-2H,(H,8,9)


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