dilithium; 1,2-dimethoxyethane; nickel(2+); 5,5,10,10,15,15,20,20-octaethyl-2,12-dimethyl-porphyrin-21,22,23,24-tetraide

Systemtic Name: dilithium; 1,2-dimethoxyethane; nickel(2+); 5,5,10,10,15,15,20,20-octaethyl-2,12-dimethyl-porphyrin-21,22,23,24-tetraide Openeye Name: dilithium; nickelous; 1,2-dimethoxyethane; 5,5,10,10,15,15,20,20-octaethyl-2,12-dimethyl-porphyrin-21,22,23,24-tetraide CAS Name: dilithium; 1,2-dimethoxyethane; nickel(2+); 5,5,10,10,15,15,20,20-octaethyl-2,12-dimethylporphyrin-21,22,23,24-tetraide IUPAC Name: dilithium; 1,2-dimethoxyethane; nickel(2+); 5,5,10,10,15,15,20,20-octaethyl-2,12-dimethylporphyrin-21,22,23,24-tetraide Traditional Name: dilithium; nickelous; 1,2-dimethoxyethane; 5,5,10,10,15,15,20,20-octaethyl-2,12-dimethyl-porphine-21,22,23,24-tetraide Formula: C46H72Li2N4NiO4 MolecularWeight: 817.66368

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].CCC1(C2=CC=C([N-]2)C(C3=C(C=C([N-]3)C(C4=CC=C([N-]4)C(C5=C(C=C1[N-]5)C)(CC)CC)(CC)CC)C)(CC)CC)CC.COCCOC.COCCOC.[Ni+2]

Isomeric SMILES

[Li+].[Li+].CCC1(C2=CC=C([N-]2)C(C3=C(C=C([N-]3)C(C4=CC=C([N-]4)C(C5=C(C=C1[N-]5)C)(CC)CC)(CC)CC)C)(CC)CC)CC.COCCOC.COCCOC.[Ni+2]

InChI

InChI=1S/C38H52N4.2C4H10O2.2Li.Ni/c1-11-35(12-2)27-19-21-29(39-27)37(15-5,16-6)34-26(10)24-32(42-34)36(13-3,14-4)28-20-22-30(40-28)38(17-7,18-8)33-25(9)23-31(35)41-33;2*1-5-3-4-6-2;;;/h19-24H,11-18H2,1-10H3;2*3-4H2,1-2H3;;;/q-4;;;2*+1;+2