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2-nitro-5-sulfanyl-benzoic acid

2-nitro-5-sulfanyl-benzoic acid

Systemtic Name:2-nitro-5-sulfanyl-benzoic acid
Openeye Name:2-nitro-5-sulfanyl-benzoic acid
CAS Name:5-mercapto-2-nitrobenzoic acid
IUPAC Name:2-nitro-5-sulfanylbenzoic acid
Traditional Name:5-mercapto-2-nitro-benzoic acid
Formula: C7H5NO4S
MolecularWeight: 199.1839
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S)C(=O)O)[N+](=O)[O-]


Isomeric SMILES

C1=CC(=C(C=C1S)C(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C7H5NO4S/c9-7(10)5-3-4(13)1-2-6(5)8(11)12/h1-3,13H,(H,9,10)


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