nickel(2+); 3,3,7,8,12,13,17,18-octaethylporphyrin-21,23-diid-2-one

Systemtic Name: nickel(2+); 3,3,7,8,12,13,17,18-octaethylporphyrin-21,23-diid-2-one Openeye Name: nickelous 3,3,7,8,12,13,17,18-octaethylporphyrin-21,23-diid-2-one CAS Name: nickel(2+); 3,3,7,8,12,13,17,18-octaethyl-2-porphyrin-21,23-diidone IUPAC Name: nickel(2+); 3,3,7,8,12,13,17,18-octaethylporphyrin-21,23-diid-2-one Traditional Name: nickelous 3,3,7,8,12,13,17,18-octaethylporphine-21,23-diid-2-one Formula: C36H44N4NiO MolecularWeight: 607.45416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC1=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(C(=O)C(=C2)[N-]5)(CC)CC)CC)CC)CC)CC)CC.[Ni+2]

Isomeric SMILES

CCC1=C(C2=NC1=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(C(=O)C(=C2)[N-]5)(CC)CC)CC)CC)CC)CC)CC.[Ni+2]

InChI

InChI=1S/C36H45N4O.Ni/c1-9-21-22(10-2)28-18-30-25(13-5)26(14-6)32(39-30)20-34-36(15-7,16-8)35(41)33(40-34)19-31-24(12-4)23(11-3)29(38-31)17-27(21)37-28;/h17-20H,9-16H2,1-8H3,(H-,37,38,39,40,41);/q-1;+2/p-1