nickel(2+); phenyl-[5,10,15,20-tetra(pentan-3-yl)porphyrin-23,24-diid-2-yl]methanol

Systemtic Name: nickel(2+); phenyl-[5,10,15,20-tetra(pentan-3-yl)porphyrin-23,24-diid-2-yl]methanol Openeye Name: nickelous phenyl-[5,10,15,20-tetrakis(1-ethylpropyl)porphyrin-23,24-diid-2-yl]methanol CAS Name: nickel(2+); phenyl-[5,10,15,20-tetra(pentan-3-yl)-2-porphyrin-23,24-diidyl]methanol IUPAC Name: nickel(2+); phenyl-[5,10,15,20-tetra(pentan-3-yl)porphyrin-23,24-diid-2-yl]methanol Traditional Name: nickelous phenyl-[5,10,15,20-tetrakis(1-ethylpropyl)porphine-23,24-diid-2-yl]methanol Formula: C47H58N4NiO MolecularWeight: 753.68302

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=C2C=CC(=C(C3=CC=C([N-]3)C(=C4C(=CC(=N4)C(=C5C=CC1=N5)C(CC)CC)C(C6=CC=CC=C6)O)C(CC)CC)C(CC)CC)[N-]2.[Ni+2]

Isomeric SMILES

CCC(CC)C1=C2C=CC(=C(C3=CC=C([N-]3)C(=C4C(=CC(=N4)C(=C5C=CC1=N5)C(CC)CC)C(C6=CC=CC=C6)O)C(CC)CC)C(CC)CC)[N-]2.[Ni+2]

InChI

InChI=1S/C47H58N4O.Ni/c1-9-29(10-2)42-35-22-23-36(48-35)43(30(11-3)12-4)38-26-27-40(50-38)45(32(15-7)16-8)46-34(47(52)33-20-18-17-19-21-33)28-41(51-46)44(31(13-5)14-6)39-25-24-37(42)49-39;/h17-32,47,52H,9-16H2,1-8H3;/q-2;+2