dizinc 2,3,7,8,12,13,17,18-octaethyl-5-[2-(2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diid-5-yl)ethyl]porphyrin-21,22-diide

Systemtic Name: dizinc 2,3,7,8,12,13,17,18-octaethyl-5-[2-(2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diid-5-yl)ethyl]porphyrin-21,22-diide Openeye Name: dizinc 2,3,7,8,12,13,17,18-octaethyl-5-[2-(2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diid-5-yl)ethyl]porphyrin-21,22-diide CAS Name: dizinc 2,3,7,8,12,13,17,18-octaethyl-5-[2-(2,3,7,8,12,13,17,18-octaethyl-5-porphyrin-21,22-diidyl)ethyl]porphyrin-21,22-diide IUPAC Name: dizinc 2,3,7,8,12,13,17,18-octaethyl-5-[2-(2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diid-5-yl)ethyl]porphyrin-21,22-diide Traditional Name: dizinc 2,3,7,8,12,13,17,18-octaethyl-5-[2-(2,3,7,8,12,13,17,18-octaethylporphine-21,22-diid-5-yl)ethyl]porphine-21,22-diide Formula: C74H90N8Zn2 MolecularWeight: 1222.378

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)CC)CC)CC)CCC6=C7C(=C(C(=CC8=NC(=CC9=NC(=CC1=C(C(=C6[N-]1)CC)CC)C(=C9CC)CC)C(=C8CC)CC)[N-]7)CC)CC)CC.[Zn+2].[Zn+2]

Isomeric SMILES

CCC1=C(C2=C(C3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)CC)CC)CC)CCC6=C7C(=C(C(=CC8=NC(=CC9=NC(=CC1=C(C(=C6[N-]1)CC)CC)C(=C9CC)CC)C(=C8CC)CC)[N-]7)CC)CC)CC.[Zn+2].[Zn+2]

InChI

InChI=1S/C74H90N8.2Zn/c1-17-41-45(21-5)63-37-67-49(25-9)53(29-13)71(79-67)57(72-54(30-14)50(26-10)68(80-72)38-64-46(22-6)42(18-2)60(76-64)35-59(41)75-63)33-34-58-73-55(31-15)51(27-11)69(81-73)39-65-47(23-7)43(19-3)61(77-65)36-62-44(20-4)48(24-8)66(78-62)40-70-52(28-12)56(32-16)74(58)82-70;;/h35-40H,17-34H2,1-16H3;;/q-4;2*+2