nickel(2+); 2,3,7,8,12,13,17,18-octaethyl-5-methyl-porphyrin-21,22-diide

Systemtic Name: nickel(2+); 2,3,7,8,12,13,17,18-octaethyl-5-methyl-porphyrin-21,22-diide Openeye Name: nickelous 2,3,7,8,12,13,17,18-octaethyl-5-methyl-porphyrin-21,22-diide CAS Name: nickel(2+); 2,3,7,8,12,13,17,18-octaethyl-5-methylporphyrin-21,22-diide IUPAC Name: nickel(2+); 2,3,7,8,12,13,17,18-octaethyl-5-methylporphyrin-21,22-diide Traditional Name: nickelous 2,3,7,8,12,13,17,18-octaethyl-5-methyl-porphine-21,22-diide Formula: C37H46N4Ni MolecularWeight: 605.48134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)CC)CC)CC)C)CC.[Ni+2]

Isomeric SMILES

CCC1=C(C2=C(C3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)CC)CC)CC)C)CC.[Ni+2]

InChI

InChI=1S/C37H46N4.Ni/c1-10-22-24(12-3)32-19-34-26(14-5)28(16-7)36(40-34)21(9)37-29(17-8)27(15-6)35(41-37)20-33-25(13-4)23(11-2)31(39-33)18-30(22)38-32;/h18-20H,10-17H2,1-9H3;/q-2;+2