4,7-diphenyl-10H-1,10-phenanthroline-1-sulfonate; iron(2+)

Systemtic Name: 4,7-diphenyl-10H-1,10-phenanthroline-1-sulfonate; iron(2+) Openeye Name: ferrous 4,7-diphenyl-10H-1,10-phenanthroline-1-sulfonate CAS Name: 4,7-diphenyl-10H-1,10-phenanthroline-1-sulfonate; iron(2+) IUPAC Name: 4,7-diphenyl-10H-1,10-phenanthroline-1-sulfonate; iron(2+) Traditional Name: ferrous 4,7-diphenyl-10H-1,10-phenanthroline-1-sulfonate Formula: C48H34FeN4O6S2 MolecularWeight: 882.78176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN(C4=C3NC=C2)S(=O)(=O)[O-])C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN(C4=C3NC=C2)S(=O)(=O)[O-])C5=CC=CC=C5.[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN(C4=C3NC=C2)S(=O)(=O)[O-])C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN(C4=C3NC=C2)S(=O)(=O)[O-])C5=CC=CC=C5.[Fe+2]

InChI

InChI=1S/2C24H18N2O3S.Fe/c2*27-30(28,29)26-16-14-20(18-9-5-2-6-10-18)22-12-11-21-19(17-7-3-1-4-8-17)13-15-25-23(21)24(22)26;/h2*1-16,25H,(H,27,28,29);/q;;+2/p-2