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zinc ethyl 4-[4-[10,20-bis(3,5-ditert-butylphenyl)-15-[4-(4-ethoxycarbonylphenyl)phenyl]porphyrin-22,24-diid-5-yl]phenyl]benzoate
zinc ethyl 4-[4-[10,20-bis(3,5-ditert-butylphenyl)-15-[4-(4-ethoxycarbonylphenyl)phenyl]porphyrin-22,24-diid-5-yl]phenyl]benzoate
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Descriptors Computed from Structure
Canonical SMILES:
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C4C=CC(=C(C5=NC(=C(C6=CC=C([N-]6)C(=C7C=CC3=N7)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C9=CC=C(C=C9)C1=CC=C(C=C1)C(=O)OCC)C=C5)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)[N-]4.[Zn+2]
Isomeric SMILES
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C4C=CC(=C(C5=NC(=C(C6=CC=C([N-]6)C(=C7C=CC3=N7)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C9=CC=C(C=C9)C1=CC=C(C=C1)C(=O)OCC)C=C5)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)[N-]4.[Zn+2]
InChI
InChI=1S/C78H77N4O4.Zn/c1-15-85-73(83)53-29-21-49(22-30-53)47-17-25-51(26-18-47)69-61-33-37-65(79-61)71(55-41-57(75(3,4)5)45-58(42-55)76(6,7)8)67-39-35-63(81-67)70(52-27-19-48(20-28-52)50-23-31-54(32-24-50)74(84)86-16-2)64-36-40-68(82-64)72(66-38-34-62(69)80-66)56-43-59(77(9,10)11)46-60(44-56)78(12,13)14;/h17-46H,15-16H2,1-14H3,(H-,79,80,81,82,83,84);/q-1;+2/p-1
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