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

Systemtic Name: 2-chloranyl-2-(4-nitrophenyl)-2-sulfanyl-ethanoic acid Openeye Name: 2-chloro-2-(4-nitrophenyl)-2-sulfanyl-acetic acid CAS Name: 2-chloro-2-mercapto-2-(4-nitrophenyl)acetic acid IUPAC Name: 2-chloro-2-(4-nitrophenyl)-2-sulfanylacetic acid Traditional Name: 2-chloro-2-mercapto-2-(4-nitrophenyl)acetic acid Formula: C8H6ClNO4S MolecularWeight: 247.65554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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