zinc 5-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-15-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-porphyrin-21,22-diide

Systemtic Name: zinc 5-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-15-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-porphyrin-21,22-diide Openeye Name: zinc 5-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-15-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-porphyrin-21,22-diide CAS Name: zinc 5-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-15-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-2,8,12,18-tetrahexyl-3,7,13,17-tetramethylporphyrin-21,22-diide IUPAC Name: zinc 5-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-15-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-2,8,12,18-tetrahexyl-3,7,13,17-tetramethylporphyrin-21,22-diide Traditional Name: zinc 5-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-15-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-porphine-21,22-diide Formula: C71H95BN4O4Zn MolecularWeight: 1144.7584

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Descriptors Computed from Structure

Canonical SMILES:

B1(OCC(CO1)(C)C)C2=CC=C(C=C2)C3=C4C(=C(C(=CC5=NC(=C(C6=NC(=CC7=C(C(=C3[N-]7)C)CCCCCC)C(=C6C)CCCCCC)C8=CC=C(C=C8)C9OCC(CO9)(C)C)C(=C5CCCCCC)C)[N-]4)CCCCCC)C.[Zn+2]

Isomeric SMILES

B1(OCC(CO1)(C)C)C2=CC=C(C=C2)C3=C4C(=C(C(=CC5=NC(=C(C6=NC(=CC7=C(C(=C3[N-]7)C)CCCCCC)C(=C6C)CCCCCC)C8=CC=C(C=C8)C9OCC(CO9)(C)C)C(=C5CCCCCC)C)[N-]4)CCCCCC)C.[Zn+2]

InChI

InChI=1S/C71H95BN4O4.Zn/c1-13-17-21-25-29-55-47(5)65-63(51-33-35-53(36-34-51)69-77-43-70(9,10)44-78-69)66-48(6)56(30-26-22-18-14-2)60(74-66)42-62-58(32-28-24-20-16-4)50(8)68(76-62)64(52-37-39-54(40-38-52)72-79-45-71(11,12)46-80-72)67-49(7)57(31-27-23-19-15-3)61(75-67)41-59(55)73-65;/h33-42,69H,13-32,43-46H2,1-12H3;/q-2;+2