zinc 1-(10,20-diphenylporphyrin-22,24-diid-5-yl)pyrrolidin-2-one

Systemtic Name: zinc 1-(10,20-diphenylporphyrin-22,24-diid-5-yl)pyrrolidin-2-one Openeye Name: zinc 1-(10,20-diphenylporphyrin-22,24-diid-5-yl)pyrrolidin-2-one CAS Name: zinc 1-(10,20-diphenyl-5-porphyrin-22,24-diidyl)-2-pyrrolidinone IUPAC Name: zinc 1-(10,20-diphenylporphyrin-22,24-diid-5-yl)pyrrolidin-2-one Traditional Name: zinc 1-(10,20-diphenylporphine-22,24-diid-5-yl)-2-pyrrolidone Formula: C36H25N5OZn MolecularWeight: 609.0256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=C3C=CC(=N3)C(=C4C=CC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)[N-]4)C8=CC=CC=C8.[Zn+2]

Isomeric SMILES

C1CC(=O)N(C1)C2=C3C=CC(=N3)C(=C4C=CC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)[N-]4)C8=CC=CC=C8.[Zn+2]

InChI

InChI=1S/C36H25N5O.Zn/c42-33-12-7-21-41(33)36-31-19-17-29(39-31)34(23-8-3-1-4-9-23)27-15-13-25(37-27)22-26-14-16-28(38-26)35(24-10-5-2-6-11-24)30-18-20-32(36)40-30;/h1-6,8-11,13-20,22H,7,12,21H2;/q-2;+2