diphenylphosphorylbenzene; iron(3+); tris(oxidanyl)-oxidanylidene-$l^{5}-chlorane

Systemtic Name: diphenylphosphorylbenzene; iron(3+); tris(oxidanyl)-oxidanylidene-$l^{5}-chlorane Openeye Name: ferric; diphenylphosphorylbenzene; trihydroxy(oxo)-$l^{5}-chlorane CAS Name: diphenylphosphorylbenzene; iron(3+); trihydroxy(oxo)-$l^{5}-chlorane IUPAC Name: diphenylphosphorylbenzene; iron(3+); trihydroxy(oxo)-$l^{5}-chlorane Traditional Name: ferric; diphenylphosphorylbenzene; trihydroxy(keto)-$l^{5}-chlorane Formula: C72H63ClFeO8P4+3 MolecularWeight: 1271.458864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3.OCl(=O)(O)O.[Fe+3]

Isomeric SMILES

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3.OCl(=O)(O)O.[Fe+3]

InChI

InChI=1S/4C18H15OP.ClH3O4.Fe/c4*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5;/h4*1-15H;(H3,2,3,4,5);/q;;;;;+3