1-[4-(2-methoxy-5-nitro-phenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[4-(2-methoxy-5-nitro-phenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[4-(2-methoxy-5-nitro-phenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-[4-(2-methoxy-5-nitrophenoxy)-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-[4-(2-methoxy-5-nitrophenoxy)-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[4-(2-methoxy-5-nitro-phenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Formula: C18H21N4O8S+ MolecularWeight: 453.44634

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=C(C=CC(=C3)[N+](=O)[O-])OC)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=C(C=CC(=C3)[N+](=O)[O-])OC)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O8S/c1-19-7-9-20(10-8-19)31(27,28)14-4-6-16(15(12-14)22(25)26)30-18-11-13(21(23)24)3-5-17(18)29-2/h3-6,11-12H,7-10H2,1-2H3/p+1