methyl 3-(4-methylsulfonyl-2-nitro-phenoxy)benzoate

Systemtic Name: methyl 3-(4-methylsulfonyl-2-nitro-phenoxy)benzoate Openeye Name: methyl 3-(4-methylsulfonyl-2-nitro-phenoxy)benzoate CAS Name: 3-(4-methylsulfonyl-2-nitrophenoxy)benzoic acid methyl ester IUPAC Name: methyl 3-(4-methylsulfonyl-2-nitrophenoxy)benzoate Traditional Name: 3-(4-mesyl-2-nitro-phenoxy)benzoic acid methyl ester Formula: C15H13NO7S MolecularWeight: 351.33122

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO7S/c1-22-15(17)10-4-3-5-11(8-10)23-14-7-6-12(24(2,20)21)9-13(14)16(18)19/h3-9H,1-2H3