(4-nitrophenyl)methyl 2-methylsulfonylbenzoate

Systemtic Name: (4-nitrophenyl)methyl 2-methylsulfonylbenzoate Openeye Name: (4-nitrophenyl)methyl 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid (4-nitrobenzyl) ester Formula: C15H13NO6S MolecularWeight: 335.33182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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