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

Systemtic Name: 4-[(6aR,10aR)-7-(4-sulfonatophenyl)-6a,10a-dihydro-1,10-phenanthrolin-4-yl]benzenesulfonate Openeye Name: 4-[(6aR,10aR)-7-(4-sulfonatophenyl)-6a,10a-dihydro-1,10-phenanthrolin-4-yl]benzenesulfonate CAS Name: 4-[(6aR,10aR)-7-(4-sulfonatophenyl)-6a,10a-dihydro-1,10-phenanthrolin-4-yl]benzenesulfonate IUPAC Name: 4-[(6aR,10aR)-7-(4-sulfonatophenyl)-6a,10a-dihydro-1,10-phenanthrolin-4-yl]benzenesulfonate Traditional Name: 4-[(6aR,10aR)-7-(4-sulfonatophenyl)-6a,10a-dihydro-1,10-phenanthrolin-4-yl]besylate Formula: C24H16N2O6S2-2 MolecularWeight: 492.52364

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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-]

Isomeric SMILES

C1=CC2=C(C=CN=C2[C@H]3[C@H]1C(=CC=N3)C4=CC=C(C=C4)S(=O)(=O)[O-])C5=CC=C(C=C5)S(=O)(=O)[O-]

InChI

InChI=1S/C24H18N2O6S2/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)/p-2/t21-,23-/m1/s1