15-[4-(6-bromanylhexoxy)phenyl]-5,10,20-tris(4-methoxyphenyl)-21,22-dihydroporphyrin

Systemtic Name: 15-[4-(6-bromanylhexoxy)phenyl]-5,10,20-tris(4-methoxyphenyl)-21,22-dihydroporphyrin Openeye Name: 15-[4-(6-bromohexoxy)phenyl]-5,10,20-tris(4-methoxyphenyl)-21,22-dihydroporphyrin CAS Name: 15-[4-(6-bromohexoxy)phenyl]-5,10,20-tris(4-methoxyphenyl)-21,22-dihydroporphyrin IUPAC Name: 15-[4-(6-bromohexoxy)phenyl]-5,10,20-tris(4-methoxyphenyl)-21,22-dihydroporphyrin Traditional Name: 15-[4-(6-bromohexoxy)phenyl]-5,10,20-tris(4-methoxyphenyl)-21,22-dihydroporphine Formula: C53H47BrN4O4 MolecularWeight: 883.86868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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)OCCCCCCBr)C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)N3

Isomeric SMILES

COC1=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)OCCCCCCBr)C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)N3

InChI

InChI=1S/C53H47BrN4O4/c1-59-38-16-8-34(9-17-38)50-42-24-26-44(55-42)51(35-10-18-39(60-2)19-11-35)46-28-30-48(57-46)53(37-14-22-41(23-15-37)62-33-7-5-4-6-32-54)49-31-29-47(58-49)52(45-27-25-43(50)56-45)36-12-20-40(61-3)21-13-36/h8-31,55-56H,4-7,32-33H2,1-3H3