nickel(2+); 2-phenyl-5-[(10,15,20-trihexylporphyrin-21,22-diid-5-yl)methyl]cyclopent-2-en-1-one

Systemtic Name: nickel(2+); 2-phenyl-5-[(10,15,20-trihexylporphyrin-21,22-diid-5-yl)methyl]cyclopent-2-en-1-one Openeye Name: nickelous 2-phenyl-5-[(10,15,20-trihexylporphyrin-21,22-diid-5-yl)methyl]cyclopent-2-en-1-one CAS Name: nickel(2+); 2-phenyl-5-[(10,15,20-trihexyl-5-porphyrin-21,22-diidyl)methyl]-1-cyclopent-2-enone IUPAC Name: nickel(2+); 2-phenyl-5-[(10,15,20-trihexylporphyrin-21,22-diid-5-yl)methyl]cyclopent-2-en-1-one Traditional Name: nickelous 2-phenyl-5-[(10,15,20-trihexylporphine-21,22-diid-5-yl)methyl]cyclopent-2-en-1-one Formula: C50H58N4NiO MolecularWeight: 789.71512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C=CC(=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CCCCCC)CCCCCC)CC6CC=C(C6=O)C7=CC=CC=C7)[N-]2.[Ni+2]

Isomeric SMILES

CCCCCCC1=C2C=CC(=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CCCCCC)CCCCCC)CC6CC=C(C6=O)C7=CC=CC=C7)[N-]2.[Ni+2]

InChI

InChI=1S/C50H58N4O.Ni/c1-4-7-10-16-21-38-42-26-28-44(51-42)39(22-17-11-8-5-2)46-30-32-48(53-46)41(34-36-24-25-37(50(36)55)35-19-14-13-15-20-35)49-33-31-47(54-49)40(23-18-12-9-6-3)45-29-27-43(38)52-45;/h13-15,19-20,25-33,36H,4-12,16-18,21-24,34H2,1-3H3;/q-2;+2