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

Systemtic Name: (4-methylphenyl)methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: p-tolylmethyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (4-methylbenzyl) ester Formula: C16H15NO6S MolecularWeight: 349.3584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO6S/c1-11-3-5-12(6-4-11)10-23-16(18)13-7-8-15(24(2,21)22)14(9-13)17(19)20/h3-9H,10H2,1-2H3