methyl 2-[(2-chloranyl-5-nitro-phenyl)methylsulfanyl]ethanoate

Systemtic Name: methyl 2-[(2-chloranyl-5-nitro-phenyl)methylsulfanyl]ethanoate Openeye Name: methyl 2-[(2-chloro-5-nitro-phenyl)methylsulfanyl]acetate CAS Name: 2-[(2-chloro-5-nitrophenyl)methylthio]acetic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-5-nitrophenyl)methylsulfanyl]acetate Traditional Name: 2-[(2-chloro-5-nitro-benzyl)thio]acetic acid methyl ester Formula: C10H10ClNO4S MolecularWeight: 275.7087

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)CSCC1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C10H10ClNO4S/c1-16-10(13)6-17-5-7-4-8(12(14)15)2-3-9(7)11/h2-4H,5-6H2,1H3