methyl 5-(4-methylsulfonylphenoxy)-2-nitro-benzoate

Systemtic Name: methyl 5-(4-methylsulfonylphenoxy)-2-nitro-benzoate Openeye Name: methyl 5-(4-methylsulfonylphenoxy)-2-nitro-benzoate CAS Name: 5-(4-methylsulfonylphenoxy)-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 5-(4-methylsulfonylphenoxy)-2-nitrobenzoate Traditional Name: 5-(4-mesylphenoxy)-2-nitro-benzoic acid methyl ester Formula: C15H13NO7S MolecularWeight: 351.33122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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