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

Systemtic Name: methyl 2-(4-chloranyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: methyl 2-(4-chloro-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-chloro-2-nitrophenyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(4-chloro-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-chloro-2-nitro-phenyl)thio]acetic acid methyl ester Formula: C9H8ClNO4S MolecularWeight: 261.68212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C9H8ClNO4S/c1-15-9(12)5-16-8-3-2-6(10)4-7(8)11(13)14/h2-4H,5H2,1H3