nickel(2+); trimethyl-[3,3,7,8,12,13,17,18-octaethyl-2-(trifluoromethyl)porphyrin-22,23-diid-2-yl]oxy-silane

Systemtic Name: nickel(2+); trimethyl-[3,3,7,8,12,13,17,18-octaethyl-2-(trifluoromethyl)porphyrin-22,23-diid-2-yl]oxy-silane Openeye Name: nickelous trimethyl-[3,3,7,8,12,13,17,18-octaethyl-2-(trifluoromethyl)porphyrin-22,23-diid-2-yl]oxy-silane CAS Name: nickel(2+); trimethyl-[[3,3,7,8,12,13,17,18-octaethyl-2-(trifluoromethyl)-2-porphyrin-22,23-diidyl]oxy]silane IUPAC Name: nickel(2+); trimethyl-[3,3,7,8,12,13,17,18-octaethyl-2-(trifluoromethyl)porphyrin-22,23-diid-2-yl]oxysilane Traditional Name: nickelous trimethyl-[3,3,7,8,12,13,17,18-octaethyl-2-(trifluoromethyl)porphine-22,23-diid-2-yl]oxy-silane Formula: C40H53F3N4NiOSi MolecularWeight: 749.64913

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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(C4(C(F)(F)F)O[Si](C)(C)C)(CC)CC)C(=C3CC)CC)CC.[Ni+2]

Isomeric SMILES

CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C([N-]5)C=C1[N-]2)CC)CC)C(C4(C(F)(F)F)O[Si](C)(C)C)(CC)CC)C(=C3CC)CC)CC.[Ni+2]

InChI

InChI=1S/C40H53F3N4OSi.Ni/c1-12-24-25(13-2)31-21-33-27(15-4)29(17-6)35(46-33)23-37-39(40(41,42)43,48-49(9,10)11)38(18-7,19-8)36(47-37)22-34-28(16-5)26(14-3)32(45-34)20-30(24)44-31;/h20-23H,12-19H2,1-11H3;/q-2;+2