[(1R)-1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [(1R)-1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [(1R)-2-oxo-1,2-bis(p-tolyl)ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [(1R)-2-keto-1,2-bis(p-tolyl)ethyl] ester Formula: C24H21NO7S MolecularWeight: 467.49104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C24H21NO7S/c1-15-4-8-17(9-5-15)22(26)23(18-10-6-16(2)7-11-18)32-24(27)19-12-13-21(33(3,30)31)20(14-19)25(28)29/h4-14,23H,1-3H3/t23-/m1/s1