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

Systemtic Name: 5,15-bis(3,5-dioctoxyphenyl)-10,20-bis(iodanyl)-21,22-dihydroporphyrin Openeye Name: 5,15-bis(3,5-dioctoxyphenyl)-10,20-diiodo-21,22-dihydroporphyrin CAS Name: 5,15-bis(3,5-dioctoxyphenyl)-10,20-diiodo-21,22-dihydroporphyrin IUPAC Name: 5,15-bis(3,5-dioctoxyphenyl)-10,20-diiodo-21,22-dihydroporphyrin Traditional Name: 5,15-bis(3,5-dioctoxyphenyl)-10,20-diiodo-21,22-dihydroporphine Formula: C64H84I2N4O4 MolecularWeight: 1227.1851

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)I)C=C5)C7=CC(=CC(=C7)OCCCCCCCC)OCCCCCCCC)C=C4)I)N3)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC(=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)I)C=C5)C7=CC(=CC(=C7)OCCCCCCCC)OCCCCCCCC)C=C4)I)N3)OCCCCCCCC

InChI

InChI=1S/C64H84I2N4O4/c1-5-9-13-17-21-25-37-71-49-41-47(42-50(45-49)72-38-26-22-18-14-10-6-2)61-53-29-33-57(67-53)63(65)59-35-31-55(69-59)62(56-32-36-60(70-56)64(66)58-34-30-54(61)68-58)48-43-51(73-39-27-23-19-15-11-7-3)46-52(44-48)74-40-28-24-20-16-12-8-4/h29-36,41-46,67-68H,5-28,37-40H2,1-4H3