zinc 10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diide-5,15-dione

Systemtic Name: zinc 10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diide-5,15-dione Openeye Name: zinc 10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diide-5,15-dione CAS Name: zinc 10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diide-5,15-dione IUPAC Name: zinc 10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diide-5,15-dione Traditional Name: zinc 10,20-bis(3,5-ditert-butylphenyl)porphine-22,24-diide-5,15-quinone Formula: C48H50N4O2Zn MolecularWeight: 780.3452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=N3)C(=O)C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=O)C6=CC=C2[N-]6)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C(C)(C)C.[Zn+2]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=N3)C(=O)C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=O)C6=CC=C2[N-]6)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C(C)(C)C.[Zn+2]

InChI

InChI=1S/C48H52N4O2.Zn/c1-45(2,3)29-21-27(22-30(25-29)46(4,5)6)41-33-13-17-37(49-33)43(53)39-19-15-35(51-39)42(28-23-31(47(7,8)9)26-32(24-28)48(10,11)12)36-16-20-40(52-36)44(54)38-18-14-34(41)50-38;/h13-26H,1-12H3,(H2,49,50,51,52,53,54);/q;+2/p-2