5,15-bis[3-(6-bromanylhexoxy)phenyl]-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin

Systemtic Name: 5,15-bis[3-(6-bromanylhexoxy)phenyl]-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin Openeye Name: 5,15-bis[3-(6-bromohexoxy)phenyl]-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin CAS Name: 5,15-bis[3-(6-bromohexoxy)phenyl]-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin IUPAC Name: 5,15-bis[3-(6-bromohexoxy)phenyl]-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin Traditional Name: 5,15-bis[3-(6-bromohexoxy)phenyl]-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphine Formula: C56H74Br2N4O2 MolecularWeight: 995.02036

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CC3=C(C(=C(N3)C(C4=C(C(=C(N4)CC5=C(C(=C(N5)C(C(=C1C)N2)C6=CC(=CC=C6)OCCCCCCBr)C)CC)CC)C)C7=CC(=CC=C7)OCCCCCCBr)C)CC

Isomeric SMILES

CCC1=C2CC3=C(C(=C(N3)C(C4=C(C(=C(N4)CC5=C(C(=C(N5)C(C(=C1C)N2)C6=CC(=CC=C6)OCCCCCCBr)C)CC)CC)C)C7=CC(=CC=C7)OCCCCCCBr)C)CC

InChI

InChI=1S/C56H74Br2N4O2/c1-9-43-35(5)53-51(39-23-21-25-41(31-39)63-29-19-15-13-17-27-57)54-37(7)45(11-3)49(61-54)34-50-46(12-4)38(8)56(62-50)52(55-36(6)44(10-2)48(60-55)33-47(43)59-53)40-24-22-26-42(32-40)64-30-20-16-14-18-28-58/h21-26,31-32,51-52,59-62H,9-20,27-30,33-34H2,1-8H3