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

Systemtic Name: 5,15-bis(4-ethynylphenyl)-10,20-dimethyl-porphyrin-22,24-diide; zinc Openeye Name: 5,15-bis(4-ethynylphenyl)-10,20-dimethyl-porphyrin-22,24-diide; zinc CAS Name: 5,15-bis(4-ethynylphenyl)-10,20-dimethylporphyrin-22,24-diide; zinc IUPAC Name: 5,15-bis(4-ethynylphenyl)-10,20-dimethylporphyrin-22,24-diide; zinc Traditional Name: 5,15-bis(4-ethynylphenyl)-10,20-dimethyl-porphine-22,24-diide; zinc Formula: C38H24N4Zn-2 MolecularWeight: 602.03296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=C(C3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC1=N5)C6=CC=C(C=C6)C#C)C)C=C3)C7=CC=C(C=C7)C#C)[N-]2.[Zn]

Isomeric SMILES

CC1=C2C=CC(=C(C3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC1=N5)C6=CC=C(C=C6)C#C)C)C=C3)C7=CC=C(C=C7)C#C)[N-]2.[Zn]

InChI

InChI=1S/C38H24N4.Zn/c1-5-25-7-11-27(12-8-25)37-33-19-15-29(39-33)23(3)31-17-21-35(41-31)38(28-13-9-26(6-2)10-14-28)36-22-18-32(42-36)24(4)30-16-20-34(37)40-30;/h1-2,7-22H,3-4H3;/q-2;