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

Systemtic Name: (4-phenylphenyl)methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (4-phenylphenyl)methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (4-phenylphenyl)methyl ester IUPAC Name: (4-phenylphenyl)methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (4-phenylbenzyl) ester Formula: C21H17NO6S MolecularWeight: 411.42778

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17NO6S/c1-29(26,27)20-12-11-18(13-19(20)22(24)25)21(23)28-14-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-13H,14H2,1H3