2-methylsulfanylethyl 4-chloranyl-3-nitro-benzoate

Systemtic Name: 2-methylsulfanylethyl 4-chloranyl-3-nitro-benzoate Openeye Name: 2-methylsulfanylethyl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid 2-(methylthio)ethyl ester Formula: C10H10ClNO4S MolecularWeight: 275.7087

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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