5,10,15,20-tetrakis(3-dodecoxyphenyl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(3-dodecoxyphenyl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(3-dodecoxyphenyl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(3-dodecoxyphenyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(3-dodecoxyphenyl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(3-lauryloxyphenyl)-21,22-dihydroporphine Formula: C92H126N4O4 MolecularWeight: 1352.00924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=CC(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC(=CC=C7)OCCCCCCCCCCCC)C8=CC(=CC=C8)OCCCCCCCCCCCC)C9=CC(=CC=C9)OCCCCCCCCCCCC)N3

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=CC(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC(=CC=C7)OCCCCCCCCCCCC)C8=CC(=CC=C8)OCCCCCCCCCCCC)C9=CC(=CC=C9)OCCCCCCCCCCCC)N3

InChI

InChI=1S/C92H126N4O4/c1-5-9-13-17-21-25-29-33-37-41-65-97-77-53-45-49-73(69-77)89-81-57-59-83(93-81)90(74-50-46-54-78(70-74)98-66-42-38-34-30-26-22-18-14-10-6-2)85-61-63-87(95-85)92(76-52-48-56-80(72-76)100-68-44-40-36-32-28-24-20-16-12-8-4)88-64-62-86(96-88)91(84-60-58-82(89)94-84)75-51-47-55-79(71-75)99-67-43-39-35-31-27-23-19-15-11-7-3/h45-64,69-72,93-94H,5-44,65-68H2,1-4H3