5,15-dimethyl-10,20-bis(4-prop-1-ynylphenyl)porphyrin-22,24-diide; zinc

Systemtic Name: 5,15-dimethyl-10,20-bis(4-prop-1-ynylphenyl)porphyrin-22,24-diide; zinc Openeye Name: 5,15-dimethyl-10,20-bis(4-prop-1-ynylphenyl)porphyrin-22,24-diide; zinc CAS Name: 5,15-dimethyl-10,20-bis(4-prop-1-ynylphenyl)porphyrin-22,24-diide; zinc IUPAC Name: 5,15-dimethyl-10,20-bis(4-prop-1-ynylphenyl)porphyrin-22,24-diide; zinc Traditional Name: 5,15-dimethyl-10,20-bis(4-prop-1-ynylphenyl)porphine-22,24-diide; zinc Formula: C40H28N4Zn-2 MolecularWeight: 630.08612

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C)C7=CC=C(C=C7)C#CC)C=C4)C)[N-]3.[Zn]

Isomeric SMILES

CC#CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C)C7=CC=C(C=C7)C#CC)C=C4)C)[N-]3.[Zn]

InChI

InChI=1S/C40H28N4.Zn/c1-5-7-27-9-13-29(14-10-27)39-35-21-17-31(41-35)25(3)33-19-23-37(43-33)40(30-15-11-28(8-6-2)12-16-30)38-24-20-34(44-38)26(4)32-18-22-36(39)42-32;/h9-24H,1-4H3;/q-2;