(3-nitrophenyl)methyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: (3-nitrophenyl)methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (3-nitrophenyl)methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (3-nitrobenzyl) ester Formula: C15H12N2O8S MolecularWeight: 380.32938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O8S/c1-26(23,24)14-6-5-11(8-13(14)17(21)22)15(18)25-9-10-3-2-4-12(7-10)16(19)20/h2-8H,9H2,1H3