zinc 5-(2,3-dimethoxyphenyl)-10,15,20-triphenyl-porphyrin-21,22-diide

Systemtic Name: zinc 5-(2,3-dimethoxyphenyl)-10,15,20-triphenyl-porphyrin-21,22-diide Openeye Name: zinc 5-(2,3-dimethoxyphenyl)-10,15,20-triphenyl-porphyrin-21,22-diide CAS Name: zinc 5-(2,3-dimethoxyphenyl)-10,15,20-triphenylporphyrin-21,22-diide IUPAC Name: zinc 5-(2,3-dimethoxyphenyl)-10,15,20-triphenylporphyrin-21,22-diide Traditional Name: zinc 5-(2,3-dimethoxyphenyl)-10,15,20-triphenyl-porphine-21,22-diide Formula: C46H32N4O2Zn MolecularWeight: 738.18088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)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.[Zn+2]

Isomeric SMILES

COC1=CC=CC(=C1OC)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.[Zn+2]

InChI

InChI=1S/C46H32N4O2.Zn/c1-51-41-20-12-19-32(46(41)52-2)45-39-27-25-37(49-39)43(30-15-8-4-9-16-30)35-23-21-33(47-35)42(29-13-6-3-7-14-29)34-22-24-36(48-34)44(31-17-10-5-11-18-31)38-26-28-40(45)50-38;/h3-28H,1-2H3;/q-2;+2