(4-nitrophenyl)methyl 3-methylsulfonylbenzoate

Systemtic Name: (4-nitrophenyl)methyl 3-methylsulfonylbenzoate Openeye Name: (4-nitrophenyl)methyl 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid (4-nitrobenzyl) ester Formula: C15H13NO6S MolecularWeight: 335.33182

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H13NO6S/c1-23(20,21)14-4-2-3-12(9-14)15(17)22-10-11-5-7-13(8-6-11)16(18)19/h2-9H,10H2,1H3