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

Systemtic Name: zinc 5-ethenyl-10,15,20-tris(4-methylphenyl)porphyrin-21,22-diide Openeye Name: zinc 5,10,15-tris(p-tolyl)-20-vinyl-porphyrin-21,24-diide CAS Name: zinc 5-ethenyl-10,15,20-tris(4-methylphenyl)porphyrin-21,22-diide IUPAC Name: zinc 5-ethenyl-10,15,20-tris(4-methylphenyl)porphyrin-21,22-diide Traditional Name: zinc 5,10,15-tris(p-tolyl)-20-vinyl-porphine-21,24-diide Formula: C43H32N4Zn MolecularWeight: 670.14998

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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)C=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)C=C)[N-]3.[Zn+2]

InChI

InChI=1S/C43H32N4.Zn/c1-5-32-33-18-20-35(44-33)41(29-12-6-26(2)7-13-29)37-22-24-39(46-37)43(31-16-10-28(4)11-17-31)40-25-23-38(47-40)42(36-21-19-34(32)45-36)30-14-8-27(3)9-15-30;/h5-25H,1H2,2-4H3;/q-2;+2