copper(1+); 2,3,7,8,12,13,17,18-octakis(1-octoxyethyl)-21,22-dihydroporphyrin

Systemtic Name: copper(1+); 2,3,7,8,12,13,17,18-octakis(1-octoxyethyl)-21,22-dihydroporphyrin Openeye Name: cuprous 2,3,7,8,12,13,17,18-octakis(1-octoxyethyl)-21,22-dihydroporphyrin CAS Name: copper(1+); 2,3,7,8,12,13,17,18-octakis(1-octoxyethyl)-21,22-dihydroporphyrin IUPAC Name: copper(1+); 2,3,7,8,12,13,17,18-octakis(1-octoxyethyl)-21,22-dihydroporphyrin Traditional Name: cuprous 2,3,7,8,12,13,17,18-octakis(1-octoxyethyl)-21,22-dihydroporphine Formula: C100H174CuN4O8+ MolecularWeight: 1624.01956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(C)C1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)OCCCCCCCC)C(C)OCCCCCCCC)C(=C4C(C)OCCCCCCCC)C(C)OCCCCCCCC)C(=C3C(C)OCCCCCCCC)C(C)OCCCCCCCC)C(C)OCCCCCCCC.[Cu+]

Isomeric SMILES

CCCCCCCCOC(C)C1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)OCCCCCCCC)C(C)OCCCCCCCC)C(=C4C(C)OCCCCCCCC)C(C)OCCCCCCCC)C(=C3C(C)OCCCCCCCC)C(C)OCCCCCCCC)C(C)OCCCCCCCC.[Cu+]

InChI

InChI=1S/C100H174N4O8.Cu/c1-17-25-33-41-49-57-65-105-77(9)93-85-73-87-95(79(11)107-67-59-51-43-35-27-19-3)97(81(13)109-69-61-53-45-37-29-21-5)89(102-87)75-91-99(83(15)111-71-63-55-47-39-31-23-7)100(84(16)112-72-64-56-48-40-32-24-8)92(104-91)76-90-98(82(14)110-70-62-54-46-38-30-22-6)96(80(12)108-68-60-52-44-36-28-20-4)88(103-90)74-86(101-85)94(93)78(10)106-66-58-50-42-34-26-18-2;/h73-84,101-102H,17-72H2,1-16H3;/q;+1