2-(4-chloranyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: 2-(4-chloranyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: 2-(4-chloro-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-chloro-2-nitrophenyl)thio]acetate IUPAC Name: 2-(4-chloro-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-chloro-2-nitro-phenyl)thio]acetate Formula: C8H5ClNO4S- MolecularWeight: 246.6476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)[N+](=O)[O-])SCC(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Cl)[N+](=O)[O-])SCC(=O)[O-]

InChI

InChI=1S/C8H6ClNO4S/c9-5-1-2-7(15-4-8(11)12)6(3-5)10(13)14/h1-3H,4H2,(H,11,12)/p-1