zinc 2-[2-[4-[15-(3,5-ditert-butylphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-porphyrin-21,22-diid-5-yl]phenyl]-1,3-dioxan-5-yl]-6-hexyl-pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

Systemtic Name: zinc 2-[2-[4-[15-(3,5-ditert-butylphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-porphyrin-21,22-diid-5-yl]phenyl]-1,3-dioxan-5-yl]-6-hexyl-pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone Openeye Name: zinc 2-[2-[4-[15-(3,5-ditert-butylphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-porphyrin-21,22-diid-5-yl]phenyl]-1,3-dioxan-5-yl]-6-hexyl-pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone CAS Name: zinc 2-[2-[4-[15-(3,5-ditert-butylphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-5-porphyrin-21,22-diidyl]phenyl]-1,3-dioxan-5-yl]-6-hexylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone IUPAC Name: zinc 2-[2-[4-[15-(3,5-ditert-butylphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethylporphyrin-21,22-diid-5-yl]phenyl]-1,3-dioxan-5-yl]-6-hexylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone Traditional Name: zinc 2-[2-[4-[15-(3,5-ditert-butylphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-porphine-21,22-diid-5-yl]phenyl]-1,3-dioxan-5-yl]-6-hexyl-pyrrol[3,4-f]isoindole-1,3,5,7-diquinone Formula: C88H112N6O6Zn MolecularWeight: 1415.27648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C=C1[N-]2)CCCCCC)C)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C)CCCCCC)CCCCCC)C)C7=CC=C(C=C7)C8OCC(CO8)N9C(=O)C1=CC2=C(C=C1C9=O)C(=O)N(C2=O)CCCCCC)C.[Zn+2]

Isomeric SMILES

CCCCCCC1=C(C2=C(C3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C=C1[N-]2)CCCCCC)C)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C)CCCCCC)CCCCCC)C)C7=CC=C(C=C7)C8OCC(CO8)N9C(=O)C1=CC2=C(C=C1C9=O)C(=O)N(C2=O)CCCCCC)C.[Zn+2]

InChI

InChI=1S/C88H112N6O6.Zn/c1-16-21-26-31-36-64-54(6)78-76(58-40-42-59(43-41-58)86-99-52-63(53-100-86)94-84(97)70-48-68-69(49-71(70)85(94)98)83(96)93(82(68)95)44-35-30-25-20-5)79-55(7)65(37-32-27-22-17-2)73(90-79)51-75-67(39-34-29-24-19-4)57(9)81(92-75)77(60-45-61(87(10,11)12)47-62(46-60)88(13,14)15)80-56(8)66(38-33-28-23-18-3)74(91-80)50-72(64)89-78;/h40-43,45-51,63,86H,16-39,44,52-53H2,1-15H3;/q-2;+2