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

Systemtic Name: disodium 4-[7-(4-sulfonatophenyl)-4,10a-dihydro-1,10-phenanthrolin-4-yl]benzenesulfonate Openeye Name: disodium 4-[7-(4-sulfonatophenyl)-4,10a-dihydro-1,10-phenanthrolin-4-yl]benzenesulfonate CAS Name: disodium 4-[7-(4-sulfonatophenyl)-4,10a-dihydro-1,10-phenanthrolin-4-yl]benzenesulfonate IUPAC Name: disodium 4-[7-(4-sulfonatophenyl)-4,10a-dihydro-1,10-phenanthrolin-4-yl]benzenesulfonate Traditional Name: disodium 4-[7-(4-sulfonatophenyl)-4,10a-dihydro-1,10-phenanthrolin-4-yl]besylate Formula: C24H16N2Na2O6S2 MolecularWeight: 538.50318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C2C3C(=CC=C2C1C4=CC=C(C=C4)S(=O)(=O)[O-])C(=CC=N3)C5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CN=C2C3C(=CC=C2C1C4=CC=C(C=C4)S(=O)(=O)[O-])C(=CC=N3)C5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C24H18N2O6S2.2Na/c27-33(28,29)17-5-1-15(2-6-17)19-11-13-25-23-21(19)9-10-22-20(12-14-26-24(22)23)16-3-7-18(8-4-16)34(30,31)32;;/h1-14,19,24H,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2