nickel(2+); 2-phenyl-4-[(10,15,20-trihexylporphyrin-21,22-diid-5-yl)methyl]cyclopent-2-en-1-one

Systemtic Name: nickel(2+); 2-phenyl-4-[(10,15,20-trihexylporphyrin-21,22-diid-5-yl)methyl]cyclopent-2-en-1-one Openeye Name: nickelous 2-phenyl-4-[(10,15,20-trihexylporphyrin-21,22-diid-5-yl)methyl]cyclopent-2-en-1-one CAS Name: nickel(2+); 2-phenyl-4-[(10,15,20-trihexyl-5-porphyrin-21,22-diidyl)methyl]-1-cyclopent-2-enone IUPAC Name: nickel(2+); 2-phenyl-4-[(10,15,20-trihexylporphyrin-21,22-diid-5-yl)methyl]cyclopent-2-en-1-one Traditional Name: nickelous 2-phenyl-4-[(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(=O)C(=C6)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(=O)C(=C6)C7=CC=CC=C7)[N-]2.[Ni+2]

InChI

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