zinc methyl 3-[10-ethynyl-15-(3-methoxy-3-oxidanylidene-propyl)-20-(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]propanoate

Systemtic Name: zinc methyl 3-[10-ethynyl-15-(3-methoxy-3-oxidanylidene-propyl)-20-(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]propanoate Openeye Name: zinc methyl 3-[10-ethynyl-15-(3-methoxy-3-oxo-propyl)-20-(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]propanoate CAS Name: zinc 3-[10-ethynyl-15-(3-methoxy-3-oxopropyl)-20-(1-methyl-2-imidazolyl)-5-porphyrin-22,24-diidyl]propanoic acid methyl ester IUPAC Name: zinc methyl 3-[10-ethynyl-15-(3-methoxy-3-oxopropyl)-20-(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]propanoate Traditional Name: zinc 3-[10-ethynyl-15-(3-keto-3-methoxy-propyl)-20-(1-methylimidazol-2-yl)porphine-22,24-diid-5-yl]propionic acid methyl ester Formula: C34H28N6O4Zn MolecularWeight: 650.03292

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C(C6=CC=C2[N-]6)CCC(=O)OC)C=C5)C#C)[N-]4)CCC(=O)OC.[Zn+2]

Isomeric SMILES

CN1C=CN=C1C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C(C6=CC=C2[N-]6)CCC(=O)OC)C=C5)C#C)[N-]4)CCC(=O)OC.[Zn+2]

InChI

InChI=1S/C34H28N6O4.Zn/c1-5-20-23-8-10-25(36-23)21(6-16-31(41)43-3)27-12-14-29(38-27)33(34-35-18-19-40(34)2)30-15-13-28(39-30)22(7-17-32(42)44-4)26-11-9-24(20)37-26;/h1,8-15,18-19H,6-7,16-17H2,2-4H3;/q-2;+2