2-nitro-5-sulfanyl-terephthalic acid

Systemtic Name: 2-nitro-5-sulfanyl-terephthalic acid Openeye Name: 2-nitro-5-sulfanyl-terephthalic acid CAS Name: 2-mercapto-5-nitroterephthalic acid IUPAC Name: 2-nitro-5-sulfanylterephthalic acid Traditional Name: 2-mercapto-5-nitro-terephthalic acid Formula: C8H5NO6S MolecularWeight: 243.1934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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