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

Systemtic Name: 4-[2-(4-iodophenyl)-3-(4-nitrophenyl)-1,2,3,4-tetrazol-2-ium-5-yl]benzene-1,3-disulfonic acid Openeye Name: 4-[2-(4-iodophenyl)-3-(4-nitrophenyl)tetrazol-2-ium-5-yl]benzene-1,3-disulfonic acid CAS Name: 4-[2-(4-iodophenyl)-3-(4-nitrophenyl)-5-tetrazol-2-iumyl]benzene-1,3-disulfonic acid IUPAC Name: 4-[2-(4-iodophenyl)-3-(4-nitrophenyl)tetrazol-2-ium-5-yl]benzene-1,3-disulfonic acid Traditional Name: 4-[2-(4-iodophenyl)-3-(4-nitrophenyl)tetrazol-2-ium-5-yl]benzene-1,3-disulfonic acid Formula: C19H13IN5O8S2+ MolecularWeight: 630.36969

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2N=C(N=[N+]2C3=CC=C(C=C3)I)C4=C(C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N2N=C(N=[N+]2C3=CC=C(C=C3)I)C4=C(C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H12IN5O8S2/c20-12-1-3-13(4-2-12)23-21-19(22-24(23)14-5-7-15(8-6-14)25(26)27)17-10-9-16(34(28,29)30)11-18(17)35(31,32)33/h1-11H,(H-,28,29,30,31,32,33)/p+1