zinc 5-but-3-enyl-10,15,20-tris(4-methylphenyl)porphyrin-21,22-diide

Systemtic Name: zinc 5-but-3-enyl-10,15,20-tris(4-methylphenyl)porphyrin-21,22-diide Openeye Name: zinc 5-but-3-enyl-10,15,20-tris(p-tolyl)porphyrin-21,22-diide CAS Name: zinc 5-but-3-enyl-10,15,20-tris(4-methylphenyl)porphyrin-21,22-diide IUPAC Name: zinc 5-but-3-enyl-10,15,20-tris(4-methylphenyl)porphyrin-21,22-diide Traditional Name: zinc 5-but-3-enyl-10,15,20-tris(p-tolyl)porphine-21,22-diide Formula: C45H36N4Zn MolecularWeight: 698.20314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)CCC=C)[N-]3.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)CCC=C)[N-]3.[Zn+2]

InChI

InChI=1S/C45H36N4.Zn/c1-5-6-7-34-35-20-22-37(46-35)43(31-14-8-28(2)9-15-31)39-24-26-41(48-39)45(33-18-12-30(4)13-19-33)42-27-25-40(49-42)44(38-23-21-36(34)47-38)32-16-10-29(3)11-17-32;/h5,8-27H,1,6-7H2,2-4H3;/q-2;+2