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

Systemtic Name: 2-(4-chlorophenyl)-2-nitro-2-sulfanyl-ethanoic acid Openeye Name: 2-(4-chlorophenyl)-2-nitro-2-sulfanyl-acetic acid CAS Name: 2-(4-chlorophenyl)-2-mercapto-2-nitroacetic acid IUPAC Name: 2-(4-chlorophenyl)-2-nitro-2-sulfanylacetic acid Traditional Name: 2-(4-chlorophenyl)-2-mercapto-2-nitro-acetic acid Formula: C8H6ClNO4S MolecularWeight: 247.65554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6ClNO4S/c9-6-3-1-5(2-4-6)8(15,7(11)12)10(13)14/h1-4,15H,(H,11,12)