(3-nitrophenyl)methyl 4-methylsulfonylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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