azanylidyneoxidanium; iron(2+); 5,10,15,20-tetraphenylporphyrin-22,24-diide; nitrite

Systemtic Name: azanylidyneoxidanium; iron(2+); 5,10,15,20-tetraphenylporphyrin-22,24-diide; nitrite Openeye Name: ferrous; nitridooxonium; 5,10,15,20-tetraphenylporphyrin-22,24-diide; nitrite CAS Name: iron(2+); nitrilooxonium; 5,10,15,20-tetraphenylporphyrin-22,24-diide; nitrite IUPAC Name: azanylidyneoxidanium; iron(2+); 5,10,15,20-tetraphenylporphyrin-22,24-diide; nitrite Traditional Name: ferrous; nitrilooxonium; 5,10,15,20-tetraphenylporphine-22,24-diide; nitrite Formula: C44H28FeN6O3 MolecularWeight: 744.57652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.N#[O+].N(=O)[O-].[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.N#[O+].N(=O)[O-].[Fe+2]

InChI

InChI=1S/C44H28N4.Fe.HNO2.NO/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;;2-1-3;1-2/h1-28H;;(H,2,3);/q-2;+2;;+1/p-1