[2-methyl-3-(4-methylphenyl)sulfonyloxy-2-nitro-propyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methyl-3-(4-methylphenyl)sulfonyloxy-2-nitro-propyl] 4-methylbenzenesulfonate Openeye Name: [2-methyl-2-nitro-3-(p-tolylsulfonyloxy)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methyl-3-(4-methylphenyl)sulfonyloxy-2-nitropropyl] ester IUPAC Name: [2-methyl-3-(4-methylphenyl)sulfonyloxy-2-nitropropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-methyl-2-nitro-3-tosyloxy-propyl) ester Formula: C18H21NO8S2 MolecularWeight: 443.49124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO8S2/c1-14-4-8-16(9-5-14)28(22,23)26-12-18(3,19(20)21)13-27-29(24,25)17-10-6-15(2)7-11-17/h4-11H,12-13H2,1-3H3