methyl 2-methylsulfanyl-5-nitro-benzoate

Systemtic Name: methyl 2-methylsulfanyl-5-nitro-benzoate Openeye Name: methyl 2-methylsulfanyl-5-nitro-benzoate CAS Name: 2-(methylthio)-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-methylsulfanyl-5-nitrobenzoate Traditional Name: 2-(methylthio)-5-nitro-benzoic acid methyl ester Formula: C9H9NO4S MolecularWeight: 227.23706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO4S/c1-14-9(11)7-5-6(10(12)13)3-4-8(7)15-2/h3-5H,1-2H3