(4-tert-butylphenyl)methyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: (4-tert-butylphenyl)methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (4-tert-butylphenyl)methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (4-tert-butylbenzyl) ester Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

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