2-nitro-2-(4-nitrophenyl)-2-sulfanyl-ethanoic acid

Systemtic Name: 2-nitro-2-(4-nitrophenyl)-2-sulfanyl-ethanoic acid Openeye Name: 2-nitro-2-(4-nitrophenyl)-2-sulfanyl-acetic acid CAS Name: 2-mercapto-2-nitro-2-(4-nitrophenyl)acetic acid IUPAC Name: 2-nitro-2-(4-nitrophenyl)-2-sulfanylacetic acid Traditional Name: 2-mercapto-2-nitro-2-(4-nitrophenyl)acetic acid Formula: C8H6N2O6S MolecularWeight: 258.20804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6N2O6S/c11-7(12)8(17,10(15)16)5-1-3-6(4-2-5)9(13)14/h1-4,17H,(H,11,12)