[5-(4-methylphenyl)sulfonyloxy-4-[1-(4-methylphenyl)sulfonyloxypropyl]-4-nitro-heptan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-(4-methylphenyl)sulfonyloxy-4-[1-(4-methylphenyl)sulfonyloxypropyl]-4-nitro-heptan-3-yl] 4-methylbenzenesulfonate Openeye Name: [1-ethyl-2-nitro-3-(p-tolylsulfonyloxy)-2-[1-(p-tolylsulfonyloxy)propyl]pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(4-methylphenyl)sulfonyloxy-4-[1-(4-methylphenyl)sulfonyloxypropyl]-4-nitroheptan-3-yl] ester IUPAC Name: [5-(4-methylphenyl)sulfonyloxy-4-[1-(4-methylphenyl)sulfonyloxypropyl]-4-nitroheptan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-ethyl-2-nitro-3-tosyloxy-2-(1-tosyloxypropyl)pentyl] ester Formula: C31H39NO11S3 MolecularWeight: 697.83646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(CC)OS(=O)(=O)C1=CC=C(C=C1)C)(C(CC)OS(=O)(=O)C2=CC=C(C=C2)C)[N+](=O)[O-])OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(C(C(CC)OS(=O)(=O)C1=CC=C(C=C1)C)(C(CC)OS(=O)(=O)C2=CC=C(C=C2)C)[N+](=O)[O-])OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C31H39NO11S3/c1-7-28(41-44(35,36)25-16-10-22(4)11-17-25)31(32(33)34,29(8-2)42-45(37,38)26-18-12-23(5)13-19-26)30(9-3)43-46(39,40)27-20-14-24(6)15-21-27/h10-21,28-30H,7-9H2,1-6H3