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

Systemtic Name: zinc [4-[15-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-porphyrin-21,22-diid-5-yl]phenyl]boronic acid Openeye Name: zinc [4-[15-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-porphyrin-21,22-diid-5-yl]phenyl]boronic acid CAS Name: zinc [4-[15-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-5-porphyrin-21,22-diidyl]phenyl]boronic acid IUPAC Name: zinc [4-[15-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-2,8,12,18-tetrahexyl-3,7,13,17-tetramethylporphyrin-21,22-diid-5-yl]phenyl]boronic acid Traditional Name: zinc [4-[15-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-porphine-21,22-diid-5-yl]phenyl]boronic acid Formula: C66H87BN4O4Zn MolecularWeight: 1076.64138

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)C2=C3C(=C(C(=CC4=NC(=C(C5=NC(=CC6=C(C(=C2[N-]6)C)CCCCCC)C(=C5C)CCCCCC)C7=CC=C(C=C7)C8OCC(CO8)(C)C)C(=C4CCCCCC)C)[N-]3)CCCCCC)C)(O)O.[Zn+2]

Isomeric SMILES

B(C1=CC=C(C=C1)C2=C3C(=C(C(=CC4=NC(=C(C5=NC(=CC6=C(C(=C2[N-]6)C)CCCCCC)C(=C5C)CCCCCC)C7=CC=C(C=C7)C8OCC(CO8)(C)C)C(=C4CCCCCC)C)[N-]3)CCCCCC)C)(O)O.[Zn+2]

InChI

InChI=1S/C66H87BN4O4.Zn/c1-11-15-19-23-27-51-43(5)61-59(47-31-33-49(34-32-47)65-74-41-66(9,10)42-75-65)62-44(6)52(28-24-20-16-12-2)56(69-62)40-58-54(30-26-22-18-14-4)46(8)64(71-58)60(48-35-37-50(38-36-48)67(72)73)63-45(7)53(29-25-21-17-13-3)57(70-63)39-55(51)68-61;/h31-40,65,72-73H,11-30,41-42H2,1-10H3;/q-2;+2