disodium 2-[7-(2-sulfonatophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate

Systemtic Name: disodium 2-[7-(2-sulfonatophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate Openeye Name: disodium 2-[7-(2-sulfonatophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate CAS Name: disodium 2-[7-(2-sulfonatophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate IUPAC Name: disodium 2-[7-(2-sulfonatophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate Traditional Name: disodium 2-[7-(2-sulfonatophenyl)-1,10-phenanthrolin-4-yl]besylate Formula: C24H14N2Na2O6S2 MolecularWeight: 536.4873

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C24H16N2O6S2.2Na/c27-33(28,29)21-7-3-1-5-17(21)15-11-13-25-23-19(15)9-10-20-16(12-14-26-24(20)23)18-6-2-4-8-22(18)34(30,31)32;;/h1-14H,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2