5,10,15,20-tetrakis(4-octoxyphenyl)-21,22-dihydroporphyrin

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=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)OCCCCCCCC)C8=CC=C(C=C8)OCCCCCCCC)C9=CC=C(C=C9)OCCCCCCCC)N3

Isomeric SMILES

CCCCCCCCOC1=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)OCCCCCCCC)C8=CC=C(C=C8)OCCCCCCCC)C9=CC=C(C=C9)OCCCCCCCC)N3

InChI

InChI=1S/C76H94N4O4/c1-5-9-13-17-21-25-53-81-61-37-29-57(30-38-61)73-65-45-47-67(77-65)74(58-31-39-62(40-32-58)82-54-26-22-18-14-10-6-2)69-49-51-71(79-69)76(60-35-43-64(44-36-60)84-56-28-24-20-16-12-8-4)72-52-50-70(80-72)75(68-48-46-66(73)78-68)59-33-41-63(42-34-59)83-55-27-23-19-15-11-7-3/h29-52,77-78H,5-28,53-56H2,1-4H3