zinc 5-(3,4-dimethoxy-2,5-dimethyl-phenyl)-10,15,20-triphenyl-porphyrin-21,22-diide

Systemtic Name: zinc 5-(3,4-dimethoxy-2,5-dimethyl-phenyl)-10,15,20-triphenyl-porphyrin-21,22-diide Openeye Name: zinc 5-(3,4-dimethoxy-2,5-dimethyl-phenyl)-10,15,20-triphenyl-porphyrin-21,22-diide CAS Name: zinc 5-(3,4-dimethoxy-2,5-dimethylphenyl)-10,15,20-triphenylporphyrin-21,22-diide IUPAC Name: zinc 5-(3,4-dimethoxy-2,5-dimethylphenyl)-10,15,20-triphenylporphyrin-21,22-diide Traditional Name: zinc 5-(3,4-dimethoxy-2,5-dimethyl-phenyl)-10,15,20-triphenyl-porphine-21,22-diide Formula: C48H36N4O2Zn MolecularWeight: 766.23404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3)C)OC)OC.[Zn+2]

Isomeric SMILES

CC1=C(C(=C(C(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3)C)OC)OC.[Zn+2]

InChI

InChI=1S/C48H36N4O2.Zn/c1-29-28-34(30(2)48(54-4)47(29)53-3)46-41-26-24-39(51-41)44(32-16-10-6-11-17-32)37-22-20-35(49-37)43(31-14-8-5-9-15-31)36-21-23-38(50-36)45(33-18-12-7-13-19-33)40-25-27-42(46)52-40;/h5-28H,1-4H3;/q-2;+2