methyl 2-[(4-chloranyl-3-nitro-phenyl)methylsulfanyl]ethanoate

Systemtic Name: methyl 2-[(4-chloranyl-3-nitro-phenyl)methylsulfanyl]ethanoate Openeye Name: methyl 2-[(4-chloro-3-nitro-phenyl)methylsulfanyl]acetate CAS Name: 2-[(4-chloro-3-nitrophenyl)methylthio]acetic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-3-nitrophenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-chloro-3-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=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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