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5-isothiocyanato-2-nitro-benzoic acid

5-isothiocyanato-2-nitro-benzoic acid

Systemtic Name:5-isothiocyanato-2-nitro-benzoic acid
Openeye Name:5-isothiocyanato-2-nitro-benzoic acid
CAS Name:5-isothiocyanato-2-nitrobenzoic acid
IUPAC Name:5-isothiocyanato-2-nitrobenzoic acid
Traditional Name:5-isothiocyanato-2-nitro-benzoic acid
Formula: C8H4N2O4S
MolecularWeight: 224.19336
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C8H4N2O4S/c11-8(12)6-3-5(9-4-15)1-2-7(6)10(13)14/h1-3H,(H,11,12)


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