(2-methoxy-5-nitro-phenyl)methyl 2-methylsulfanylbenzoate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 2-methylsulfanylbenzoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid (2-methoxy-5-nitro-benzyl) ester Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C2=CC=CC=C2SC

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C2=CC=CC=C2SC

InChI

InChI=1S/C16H15NO5S/c1-21-14-8-7-12(17(19)20)9-11(14)10-22-16(18)13-5-3-4-6-15(13)23-2/h3-9H,10H2,1-2H3