5,10,15,20-tetrakis[4-(2-ethylhexoxy)phenyl]-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis[4-(2-ethylhexoxy)phenyl]-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis[4-(2-ethylhexoxy)phenyl]-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis[4-(2-ethylhexoxy)phenyl]-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis[4-(2-ethylhexoxy)phenyl]-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis[4-(2-ethylhexoxy)phenyl]-21,22-dihydroporphine Formula: C76H94N4O4 MolecularWeight: 1127.58396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OCC(CC)CCCC)C8=CC=C(C=C8)OCC(CC)CCCC)C9=CC=C(C=C9)OCC(CC)CCCC)N3

Isomeric SMILES

CCCCC(CC)COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OCC(CC)CCCC)C8=CC=C(C=C8)OCC(CC)CCCC)C9=CC=C(C=C9)OCC(CC)CCCC)N3

InChI

InChI=1S/C76H94N4O4/c1-9-17-21-53(13-5)49-81-61-33-25-57(26-34-61)73-65-41-43-67(77-65)74(58-27-35-62(36-28-58)82-50-54(14-6)22-18-10-2)69-45-47-71(79-69)76(60-31-39-64(40-32-60)84-52-56(16-8)24-20-12-4)72-48-46-70(80-72)75(68-44-42-66(73)78-68)59-29-37-63(38-30-59)83-51-55(15-7)23-19-11-3/h25-48,53-56,77-78H,9-24,49-52H2,1-8H3