[(1R)-1-(3-nitrophenyl)ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 4-methylsulfonylbenzoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C16H15NO6S MolecularWeight: 349.3584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO6S/c1-11(13-4-3-5-14(10-13)17(19)20)23-16(18)12-6-8-15(9-7-12)24(2,21)22/h3-11H,1-2H3/t11-/m1/s1