tert-butyl 3-[(4-methylphenyl)sulfonylmethyl]-4-nitro-benzoate

Systemtic Name: tert-butyl 3-[(4-methylphenyl)sulfonylmethyl]-4-nitro-benzoate Openeye Name: tert-butyl 4-nitro-3-(p-tolylsulfonylmethyl)benzoate CAS Name: 3-[(4-methylphenyl)sulfonylmethyl]-4-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(4-methylphenyl)sulfonylmethyl]-4-nitrobenzoate Traditional Name: 4-nitro-3-(tosylmethyl)benzoic acid tert-butyl ester Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=C2)C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=C2)C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21NO6S/c1-13-5-8-16(9-6-13)27(24,25)12-15-11-14(7-10-17(15)20(22)23)18(21)26-19(2,3)4/h5-11H,12H2,1-4H3