methanidyl(trimethyl)silane; 2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diide; zirconium(4+)

Systemtic Name: methanidyl(trimethyl)silane; 2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diide; zirconium(4+) Openeye Name: methanidyl(trimethyl)silane; 2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diide; zirconium(4+) CAS Name: methanidyl(trimethyl)silane; 2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diide; zirconium(4+) IUPAC Name: methanidyl(trimethyl)silane; 2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diide; zirconium(4+) Traditional Name: methanidyl(trimethyl)silane; 2,3,7,8,12,13,17,18-octaethylporphine-21,22-diide; zirconium(4+) Formula: C44H66N4Si2Zr MolecularWeight: 798.41664

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C([N-]5)C=C1[N-]2)CC)CC)C(=C4CC)CC)C(=C3CC)CC)CC.C[Si](C)(C)[CH2-].C[Si](C)(C)[CH2-].[Zr+4]

Isomeric SMILES

CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C([N-]5)C=C1[N-]2)CC)CC)C(=C4CC)CC)C(=C3CC)CC)CC.C[Si](C)(C)[CH2-].C[Si](C)(C)[CH2-].[Zr+4]

InChI

InChI=1S/C36H44N4.2C4H11Si.Zr/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;2*1-5(2,3)4;/h17-20H,9-16H2,1-8H3;2*1H2,2-4H3;/q-2;2*-1;+4