(4-methylphenyl)sulfonylmethyl 4-nitrobenzenesulfonate

Systemtic Name: (4-methylphenyl)sulfonylmethyl 4-nitrobenzenesulfonate Openeye Name: p-tolylsulfonylmethyl 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (4-methylphenyl)sulfonylmethyl ester IUPAC Name: (4-methylphenyl)sulfonylmethyl 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid tosylmethyl ester Formula: C14H13NO7S2 MolecularWeight: 371.38552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO7S2/c1-11-2-6-13(7-3-11)23(18,19)10-22-24(20,21)14-8-4-12(5-9-14)15(16)17/h2-9H,10H2,1H3