zinc 3-[18-(2-carboxyethyl)-7,12-diethyl-3,8,13,17-tetramethyl-15-oxidanylidene-21H-porphyrin-22,24-diid-2-yl]propanoic acid

Systemtic Name: zinc 3-[18-(2-carboxyethyl)-7,12-diethyl-3,8,13,17-tetramethyl-15-oxidanylidene-21H-porphyrin-22,24-diid-2-yl]propanoic acid Openeye Name: zinc 3-[18-(2-carboxyethyl)-7,12-diethyl-3,8,13,17-tetramethyl-15-oxo-21H-porphyrin-22,24-diid-2-yl]propanoic acid CAS Name: zinc 3-[18-(2-carboxyethyl)-7,12-diethyl-3,8,13,17-tetramethyl-15-oxo-21H-porphyrin-22,24-diid-2-yl]propanoic acid IUPAC Name: zinc 3-[18-(2-carboxyethyl)-7,12-diethyl-3,8,13,17-tetramethyl-15-oxo-21H-porphyrin-22,24-diid-2-yl]propanoic acid Traditional Name: zinc 3-[18-(2-carboxyethyl)-7,12-diethyl-15-keto-3,8,13,17-tetramethyl-21H-porphine-22,24-diid-2-yl]propionic acid Formula: C34H36N4O5Zn MolecularWeight: 646.08244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C3C(=C(C(=CC4=C(C(=C([N-]4)C(=O)C5=NC(=CC(=C1C)[N-]2)C(=C5C)CC)C)CCC(=O)O)N3)CCC(=O)O)C.[Zn+2]

Isomeric SMILES

CCC1=C2C=C3C(=C(C(=CC4=C(C(=C([N-]4)C(=O)C5=NC(=CC(=C1C)[N-]2)C(=C5C)CC)C)CCC(=O)O)N3)CCC(=O)O)C.[Zn+2]

InChI

InChI=1S/C34H38N4O5.Zn/c1-7-20-16(3)24-14-27-21(8-2)18(5)32(37-27)34(43)33-19(6)23(10-12-31(41)42)29(38-33)15-28-22(9-11-30(39)40)17(4)25(36-28)13-26(20)35-24;/h13-15H,7-12H2,1-6H3,(H5,35,36,37,38,39,40,41,42,43);/q;+2/p-2