dimethyl 5-(4-methylsulfonyl-2-nitro-phenoxy)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(4-methylsulfonyl-2-nitro-phenoxy)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(4-methylsulfonyl-2-nitro-phenoxy)benzene-1,3-dicarboxylate CAS Name: 5-(4-methylsulfonyl-2-nitrophenoxy)benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(4-methylsulfonyl-2-nitrophenoxy)benzene-1,3-dicarboxylate Traditional Name: 5-(4-mesyl-2-nitro-phenoxy)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H15NO9S MolecularWeight: 409.3673

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H15NO9S/c1-25-16(19)10-6-11(17(20)26-2)8-12(7-10)27-15-5-4-13(28(3,23)24)9-14(15)18(21)22/h4-9H,1-3H3