disodium; copper; 3-[2,9-dimethyl-7-(3-sulfonatophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate

Systemtic Name: disodium; copper; 3-[2,9-dimethyl-7-(3-sulfonatophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate Openeye Name: disodium; copper; 3-[2,9-dimethyl-7-(3-sulfonatophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate CAS Name: disodium; copper; 3-[2,9-dimethyl-7-(3-sulfonatophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate IUPAC Name: disodium; copper; 3-[2,9-dimethyl-7-(3-sulfonatophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate Traditional Name: disodium; copper; 3-[2,9-dimethyl-7-(3-sulfonatophenyl)-1,10-phenanthrolin-4-yl]besylate Formula: C26H18CuN2Na2O6S2 MolecularWeight: 628.08646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC3=C2N=C(C=C3C4=CC(=CC=C4)S(=O)(=O)[O-])C)C(=C1)C5=CC(=CC=C5)S(=O)(=O)[O-].[Na+].[Na+].[Cu]

Isomeric SMILES

CC1=NC2=C(C=CC3=C2N=C(C=C3C4=CC(=CC=C4)S(=O)(=O)[O-])C)C(=C1)C5=CC(=CC=C5)S(=O)(=O)[O-].[Na+].[Na+].[Cu]

InChI

InChI=1S/C26H20N2O6S2.Cu.2Na/c1-15-11-23(17-5-3-7-19(13-17)35(29,30)31)21-9-10-22-24(12-16(2)28-26(22)25(21)27-15)18-6-4-8-20(14-18)36(32,33)34;;;/h3-14H,1-2H3,(H,29,30,31)(H,32,33,34);;;/q;;2*+1/p-2