nickel(2+); (Z)-(2,3,7,8,12,13,17,18-octaethylporphyrin-22-id-5-ylidene)methanolate

Systemtic Name: nickel(2+); (Z)-(2,3,7,8,12,13,17,18-octaethylporphyrin-22-id-5-ylidene)methanolate Openeye Name: nickelous (Z)-(2,3,7,8,12,13,17,18-octaethylporphyrin-22-id-5-ylidene)methanolate CAS Name: nickel(2+); (Z)-(2,3,7,8,12,13,17,18-octaethyl-5-porphyrin-22-idylidene)methanolate IUPAC Name: nickel(2+); (Z)-(2,3,7,8,12,13,17,18-octaethylporphyrin-22-id-5-ylidene)methanolate Traditional Name: nickelous (Z)-(2,3,7,8,12,13,17,18-octaethylporphin-22-id-5-ylidene)methanolate Formula: C37H44N4NiO MolecularWeight: 619.46486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC1=CC3=C(C(=C([N-]3)C(=C[O-])C4=NC(=CC5=NC(=C2)C(=C5CC)CC)C(=C4CC)CC)CC)CC)CC.[Ni+2]

Isomeric SMILES

CCC1=C(C2=NC1=CC3=C(C(=C([N-]3)/C(=C/[O-])/C4=NC(=CC5=NC(=C2)C(=C5CC)CC)C(=C4CC)CC)CC)CC)CC.[Ni+2]

InChI

InChI=1S/C37H45N4O.Ni/c1-9-21-23(11-3)32-18-34-25(13-5)27(15-7)36(40-34)29(20-42)37-28(16-8)26(14-6)35(41-37)19-33-24(12-4)22(10-2)31(39-33)17-30(21)38-32;/h17-20H,9-16H2,1-8H3,(H-,38,39,40,41,42);/q-1;+2/p-1