[3,3-bis(2-methylphenyl)-2-[(4-nitrophenyl)sulfonyloxymethyl]propyl] 4-nitrobenzenesulfonate

Systemtic Name: [3,3-bis(2-methylphenyl)-2-[(4-nitrophenyl)sulfonyloxymethyl]propyl] 4-nitrobenzenesulfonate Openeye Name: [2-[(4-nitrophenyl)sulfonyloxymethyl]-3,3-bis(o-tolyl)propyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [3,3-bis(2-methylphenyl)-2-[(4-nitrophenyl)sulfonyloxymethyl]propyl] ester IUPAC Name: [3,3-bis(2-methylphenyl)-2-[(4-nitrophenyl)sulfonyloxymethyl]propyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [2-(nosyloxymethyl)-3,3-bis(o-tolyl)propyl] ester Formula: C30H28N2O10S2 MolecularWeight: 640.68072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2C)C(COS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])COS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2C)C(COS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])COS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C30H28N2O10S2/c1-21-7-3-5-9-28(21)30(29-10-6-4-8-22(29)2)23(19-41-43(37,38)26-15-11-24(12-16-26)31(33)34)20-42-44(39,40)27-17-13-25(14-18-27)32(35)36/h3-18,23,30H,19-20H2,1-2H3