10,20-bis(3,5-dioctoxyphenyl)-15-iodanyl-21,22-dihydroporphyrin

Systemtic Name: 10,20-bis(3,5-dioctoxyphenyl)-15-iodanyl-21,22-dihydroporphyrin Openeye Name: 10,20-bis(3,5-dioctoxyphenyl)-15-iodo-21,22-dihydroporphyrin CAS Name: 10,20-bis(3,5-dioctoxyphenyl)-15-iodo-21,22-dihydroporphyrin IUPAC Name: 10,20-bis(3,5-dioctoxyphenyl)-15-iodo-21,22-dihydroporphyrin Traditional Name: 10,20-bis(3,5-dioctoxyphenyl)-15-iodo-21,22-dihydroporphine Formula: C64H85IN4O4 MolecularWeight: 1101.28857

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=CC(=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)I)C7=CC(=CC(=C7)OCCCCCCCC)OCCCCCCCC)N3)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC(=CC(=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)I)C7=CC(=CC(=C7)OCCCCCCCC)OCCCCCCCC)N3)OCCCCCCCC

InChI

InChI=1S/C64H85IN4O4/c1-5-9-13-17-21-25-37-70-52-41-48(42-53(46-52)71-38-26-22-18-14-10-6-2)62-56-31-29-50(66-56)45-51-30-32-57(67-51)63(59-34-36-61(69-59)64(65)60-35-33-58(62)68-60)49-43-54(72-39-27-23-19-15-11-7-3)47-55(44-49)73-40-28-24-20-16-12-8-4/h29-36,41-47,66-67H,5-28,37-40H2,1-4H3