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zinc 10-bromanyl-5,15-bis(3,5-ditert-butylphenyl)porphyrin-22,23-diide
zinc 10-bromanyl-5,15-bis(3,5-ditert-butylphenyl)porphyrin-22,23-diide
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Canonical SMILES:
CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C=C6C=CC2=N6)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)Br)[N-]3)C(C)(C)C.[Zn+2]
Isomeric SMILES
CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C=C6C=CC2=N6)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)Br)[N-]3)C(C)(C)C.[Zn+2]
InChI
InChI=1S/C48H51BrN4.Zn/c1-45(2,3)30-21-28(22-31(25-30)46(4,5)6)42-36-15-13-34(50-36)27-35-14-16-37(51-35)43(29-23-32(47(7,8)9)26-33(24-29)48(10,11)12)39-18-20-41(53-39)44(49)40-19-17-38(42)52-40;/h13-27H,1-12H3;/q-2;+2
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