5,15-bis(ethenyl)-10,20-dihexyl-porphyrin-22,23-diide; nickel(2+)

Systemtic Name: 5,15-bis(ethenyl)-10,20-dihexyl-porphyrin-22,23-diide; nickel(2+) Openeye Name: nickelous 5,15-dihexyl-10,20-divinyl-porphyrin-21,22-diide CAS Name: 5,15-bis(ethenyl)-10,20-dihexylporphyrin-22,23-diide; nickel(2+) IUPAC Name: 5,15-bis(ethenyl)-10,20-dihexylporphyrin-22,23-diide; nickel(2+) Traditional Name: nickelous 5,15-dihexyl-10,20-divinyl-porphine-21,22-diide Formula: C36H40N4Ni MolecularWeight: 587.423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1[N-]5)C=C)C=C4)CCCCCC)C=C3)C=C)[N-]2.[Ni+2]

Isomeric SMILES

CCCCCCC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1[N-]5)C=C)C=C4)CCCCCC)C=C3)C=C)[N-]2.[Ni+2]

InChI

InChI=1S/C36H40N4.Ni/c1-5-9-11-13-15-27-33-21-17-29(37-33)25(7-3)31-19-23-35(39-31)28(16-14-12-10-6-2)36-24-20-32(40-36)26(8-4)30-18-22-34(27)38-30;/h7-8,17-24H,3-6,9-16H2,1-2H3;/q-2;+2