zinc 5,15-dimethyl-10-(4-prop-2-enylphenyl)-20-(2,4,6-triethylphenyl)porphyrin-21,24-diide

Systemtic Name: zinc 5,15-dimethyl-10-(4-prop-2-enylphenyl)-20-(2,4,6-triethylphenyl)porphyrin-21,24-diide Openeye Name: zinc 5-(4-allylphenyl)-10,20-dimethyl-15-(2,4,6-triethylphenyl)porphyrin-23,24-diide CAS Name: zinc 5,15-dimethyl-10-(4-prop-2-enylphenyl)-20-(2,4,6-triethylphenyl)porphyrin-21,24-diide IUPAC Name: zinc 5,15-dimethyl-10-(4-prop-2-enylphenyl)-20-(2,4,6-triethylphenyl)porphyrin-21,24-diide Traditional Name: zinc 5-(4-allylphenyl)-10,20-dimethyl-15-(2,4,6-triethylphenyl)porphine-23,24-diide Formula: C43H40N4Zn MolecularWeight: 678.2135

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)CC)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C)C=C5)C7=CC=C(C=C7)CC=C)C=C4)C)[N-]3)CC.[Zn+2]

Isomeric SMILES

CCC1=CC(=C(C(=C1)CC)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C)C=C5)C7=CC=C(C=C7)CC=C)C=C4)C)[N-]3)CC.[Zn+2]

InChI

InChI=1S/C43H40N4.Zn/c1-7-11-29-12-14-32(15-13-29)42-37-20-16-33(44-37)26(5)35-18-22-39(46-35)43(41-30(9-3)24-28(8-2)25-31(41)10-4)40-23-19-36(47-40)27(6)34-17-21-38(42)45-34;/h7,12-25H,1,8-11H2,2-6H3;/q-2;+2