[2,4-bis(chloranyl)-5-nitro-phenyl] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [2,4-bis(chloranyl)-5-nitro-phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: (2,4-dichloro-5-nitro-phenyl) 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid (2,4-dichloro-5-nitrophenyl) ester IUPAC Name: (2,4-dichloro-5-nitrophenyl) 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid (2,4-dichloro-5-nitro-phenyl) ester Formula: C13H8Cl2N2O7S MolecularWeight: 407.18282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C(=C2)[N+](=O)[O-])Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C(=C2)[N+](=O)[O-])Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H8Cl2N2O7S/c1-7-2-3-8(4-11(7)16(18)19)25(22,23)24-13-6-12(17(20)21)9(14)5-10(13)15/h2-6H,1H3