5,10,15,20-tetra(undecyl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetra(undecyl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetra(undecyl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetra(undecyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetra(undecyl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetra(undecyl)-21,22-dihydroporphine Formula: C64H102N4 MolecularWeight: 927.52148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CCCCCCCCCCC)CCCCCCCCCCC)CCCCCCCCCCC)N2

Isomeric SMILES

CCCCCCCCCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CCCCCCCCCCC)CCCCCCCCCCC)CCCCCCCCCCC)N2

InChI

InChI=1S/C64H102N4/c1-5-9-13-17-21-25-29-33-37-41-53-57-45-47-59(65-57)54(42-38-34-30-26-22-18-14-10-6-2)61-49-51-63(67-61)56(44-40-36-32-28-24-20-16-12-8-4)64-52-50-62(68-64)55(60-48-46-58(53)66-60)43-39-35-31-27-23-19-15-11-7-3/h45-52,65-66H,5-44H2,1-4H3