(2,6-dimethoxyphenyl) 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (2,6-dimethoxyphenyl) 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (2,6-dimethoxyphenyl) 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (2,6-dimethoxyphenyl) ester IUPAC Name: (2,6-dimethoxyphenyl) 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (2,6-dimethoxyphenyl) ester Formula: C16H15NO6S MolecularWeight: 349.3584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)OC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC=C1)OC)OC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO6S/c1-21-12-5-4-6-13(22-2)15(12)23-16(18)10-7-8-14(24-3)11(9-10)17(19)20/h4-9H,1-3H3