zinc [4-[15-[4-[5-[2-(2,5-ditert-butylphenyl)-1,3,5,7-tetrakis(oxidanylidene)pyrrolo[3,4-f]isoindol-6-yl]-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-[2-(2,5-ditert-butylphenyl)-1,3,5,7-tetrakis(oxidanylidene)pyrrolo[3,4-f]isoindol-6-yl]-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-[2-(2,5-ditert-butylphenyl)-1,3,5,7-tetraoxo-pyrrolo[3,4-f]isoindol-6-yl]-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-[2-(2,5-ditert-butylphenyl)-1,3,5,7-tetraoxo-6-pyrrolo[3,4-f]isoindolyl]-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-[2-(2,5-ditert-butylphenyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]-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-[2-(2,5-ditert-butylphenyl)-1,3,5,7-tetraketo-pyrrol[3,4-f]isoindol-6-yl]-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: C88H105BN6O8Zn MolecularWeight: 1451.0307

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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)N9C(=O)C1=C(C9=O)C=C2C(=C1)C(=O)N(C2=O)C1=C(C=CC(=C1)C(C)(C)C)C(C)(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)N9C(=O)C1=C(C9=O)C=C2C(=C1)C(=O)N(C2=O)C1=C(C=CC(=C1)C(C)(C)C)C(C)(C)C)C(=C4CCCCCC)C)[N-]3)CCCCCC)C)(O)O.[Zn+2]

InChI

InChI=1S/C88H105BN6O8.Zn/c1-15-19-23-27-31-62-52(5)78-76(56-35-37-58(38-36-56)86-102-50-61(51-103-86)94-82(96)66-46-68-69(47-67(66)83(94)97)85(99)95(84(68)98)75-45-59(87(9,10)11)41-44-70(75)88(12,13)14)79-53(6)63(32-28-24-20-16-2)72(91-79)49-74-65(34-30-26-22-18-4)55(8)81(93-74)77(57-39-42-60(43-40-57)89(100)101)80-54(7)64(33-29-25-21-17-3)73(92-80)48-71(62)90-78;/h35-49,61,86,100-101H,15-34,50-51H2,1-14H3;/q-2;+2