disodium 4-[7-(4-sulfonatophenyl)-6a,10a-dihydro-1,10-phenanthrolin-4-yl]benzenesulfonate hydrate

Systemtic Name: disodium 4-[7-(4-sulfonatophenyl)-6a,10a-dihydro-1,10-phenanthrolin-4-yl]benzenesulfonate hydrate Openeye Name: disodium 4-[7-(4-sulfonatophenyl)-6a,10a-dihydro-1,10-phenanthrolin-4-yl]benzenesulfonate hydrate CAS Name: disodium 4-[7-(4-sulfonatophenyl)-6a,10a-dihydro-1,10-phenanthrolin-4-yl]benzenesulfonate hydrate IUPAC Name: disodium 4-[7-(4-sulfonatophenyl)-6a,10a-dihydro-1,10-phenanthrolin-4-yl]benzenesulfonate hydrate Traditional Name: disodium 4-[7-(4-sulfonatophenyl)-6a,10a-dihydro-1,10-phenanthrolin-4-yl]besylate hydrate Formula: C24H18N2Na2O7S2 MolecularWeight: 556.51846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2C3C1C(=CC=N3)C4=CC=C(C=C4)S(=O)(=O)[O-])C5=CC=C(C=C5)S(=O)(=O)[O-].O.[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=CN=C2C3C1C(=CC=N3)C4=CC=C(C=C4)S(=O)(=O)[O-])C5=CC=C(C=C5)S(=O)(=O)[O-].O.[Na+].[Na+]

InChI

InChI=1S/C24H18N2O6S2.2Na.H2O/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;;;/h1-14,21,23H,(H,27,28,29)(H,30,31,32);;;1H2/q;2*+1;/p-2