5-[2-(2-methoxy-4-nitro-phenyl)-3-(4-nitrophenyl)-1,2,3,4-tetrazol-2-ium-5-yl]benzene-1,3-disulfonic acid

Systemtic Name: 5-[2-(2-methoxy-4-nitro-phenyl)-3-(4-nitrophenyl)-1,2,3,4-tetrazol-2-ium-5-yl]benzene-1,3-disulfonic acid Openeye Name: 5-[2-(2-methoxy-4-nitro-phenyl)-3-(4-nitrophenyl)tetrazol-2-ium-5-yl]benzene-1,3-disulfonic acid CAS Name: 5-[2-(2-methoxy-4-nitrophenyl)-3-(4-nitrophenyl)-5-tetrazol-2-iumyl]benzene-1,3-disulfonic acid IUPAC Name: 5-[2-(2-methoxy-4-nitrophenyl)-3-(4-nitrophenyl)tetrazol-2-ium-5-yl]benzene-1,3-disulfonic acid Traditional Name: 5-[2-(2-methoxy-4-nitro-phenyl)-3-(4-nitrophenyl)tetrazol-2-ium-5-yl]benzene-1,3-disulfonic acid Formula: C20H15N6O11S2+ MolecularWeight: 579.4967

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])[N+]2=NC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC(=CC(=C4)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])[N+]2=NC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC(=CC(=C4)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H14N6O11S2/c1-37-19-10-15(26(29)30)6-7-18(19)24-22-20(21-23(24)13-2-4-14(5-3-13)25(27)28)12-8-16(38(31,32)33)11-17(9-12)39(34,35)36/h2-11H,1H3,(H-,31,32,33,34,35,36)/p+1