zinc 10-(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-3,3-dimethyl-2H-porphyrin-22,23-diid-2-ol

Systemtic Name: zinc 10-(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-3,3-dimethyl-2H-porphyrin-22,23-diid-2-ol Openeye Name: zinc 10-(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-3,3-dimethyl-2H-porphyrin-22,23-diid-2-ol CAS Name: zinc 10-(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-3,3-dimethyl-2H-porphyrin-22,23-diid-2-ol IUPAC Name: zinc 10-(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-3,3-dimethyl-2H-porphyrin-22,23-diid-2-ol Traditional Name: zinc 10-(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-3,3-dimethyl-2H-porphine-22,23-diid-2-ol Formula: C42H41IN4OZn MolecularWeight: 810.11461

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C2=CC3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC(=CC1=N2)[N-]5)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C7=CC=C(C=C7)I)C=C3)O)C.[Zn+2]

Isomeric SMILES

CC1(C(C2=CC3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC(=CC1=N2)[N-]5)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C7=CC=C(C=C7)I)C=C3)O)C.[Zn+2]

InChI

InChI=1S/C42H41IN4O.Zn/c1-40(2,3)26-19-25(20-27(21-26)41(4,5)6)38-32-16-14-30(45-32)23-36-42(7,8)39(48)35(47-36)22-29-13-15-31(44-29)37(33-17-18-34(38)46-33)24-9-11-28(43)12-10-24;/h9-23,39,48H,1-8H3;/q-2;+2