methyl 2-[(4-methylphenyl)sulfonylmethyl]-3-nitro-benzoate

Systemtic Name: methyl 2-[(4-methylphenyl)sulfonylmethyl]-3-nitro-benzoate Openeye Name: methyl 3-nitro-2-(p-tolylsulfonylmethyl)benzoate CAS Name: 2-[(4-methylphenyl)sulfonylmethyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(4-methylphenyl)sulfonylmethyl]-3-nitrobenzoate Traditional Name: 3-nitro-2-(tosylmethyl)benzoic acid methyl ester Formula: C16H15NO6S MolecularWeight: 349.3584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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