sodium 4-[2-(2,4-dinitrophenyl)-3-(4-iodophenyl)-1,2,3,4-tetrazol-2-ium-5-yl]benzene-1,3-disulfonate

Systemtic Name: sodium 4-[2-(2,4-dinitrophenyl)-3-(4-iodophenyl)-1,2,3,4-tetrazol-2-ium-5-yl]benzene-1,3-disulfonate Openeye Name: sodium 4-[2-(2,4-dinitrophenyl)-3-(4-iodophenyl)tetrazol-2-ium-5-yl]benzene-1,3-disulfonate CAS Name: sodium 4-[2-(2,4-dinitrophenyl)-3-(4-iodophenyl)-5-tetrazol-2-iumyl]benzene-1,3-disulfonate IUPAC Name: sodium 4-[2-(2,4-dinitrophenyl)-3-(4-iodophenyl)tetrazol-2-ium-5-yl]benzene-1,3-disulfonate Traditional Name: sodium 4-[2-(2,4-dinitrophenyl)-3-(4-iodophenyl)tetrazol-2-ium-5-yl]benzene-1,3-disulfonate Formula: C19H10IN6NaO10S2 MolecularWeight: 696.34114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H11IN6O10S2.Na/c20-11-1-3-12(4-2-11)23-21-19(15-7-6-14(37(31,32)33)10-18(15)38(34,35)36)22-24(23)16-8-5-13(25(27)28)9-17(16)26(29)30;/h1-10H,(H-,31,32,33,34,35,36);/q;+1/p-1