zinc 5,10,15-tris(4-methylphenyl)-20-prop-2-enyl-porphyrin-21,24-diide

Systemtic Name: zinc 5,10,15-tris(4-methylphenyl)-20-prop-2-enyl-porphyrin-21,24-diide Openeye Name: zinc 5-allyl-10,15,20-tris(p-tolyl)porphyrin-21,22-diide CAS Name: zinc 5,10,15-tris(4-methylphenyl)-20-prop-2-enylporphyrin-21,24-diide IUPAC Name: zinc 5,10,15-tris(4-methylphenyl)-20-prop-2-enylporphyrin-21,24-diide Traditional Name: zinc 5-allyl-10,15,20-tris(p-tolyl)porphine-21,22-diide Formula: C44H34N4Zn MolecularWeight: 684.17656

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

InChI

InChI=1S/C44H34N4.Zn/c1-5-6-33-34-19-21-36(45-34)42(30-13-7-27(2)8-14-30)38-23-25-40(47-38)44(32-17-11-29(4)12-18-32)41-26-24-39(48-41)43(37-22-20-35(33)46-37)31-15-9-28(3)10-16-31;/h5,7-26H,1,6H2,2-4H3;/q-2;+2