2-nitro-5-sulfanyl-benzene-1,3-dicarboxylic acid

Systemtic Name: 2-nitro-5-sulfanyl-benzene-1,3-dicarboxylic acid Openeye Name: 2-nitro-5-sulfanyl-benzene-1,3-dicarboxylic acid CAS Name: 5-mercapto-2-nitrobenzene-1,3-dicarboxylic acid IUPAC Name: 2-nitro-5-sulfanylbenzene-1,3-dicarboxylic acid Traditional Name: 5-mercapto-2-nitro-isophthalic acid Formula: C8H5NO6S MolecularWeight: 243.1934

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1C(=O)O)[N+](=O)[O-])C(=O)O)S

Isomeric SMILES

C1=C(C=C(C(=C1C(=O)O)[N+](=O)[O-])C(=O)O)S

InChI

InChI=1S/C8H5NO6S/c10-7(11)4-1-3(16)2-5(8(12)13)6(4)9(14)15/h1-2,16H,(H,10,11)(H,12,13)