mercury(2+); 3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetramethyl-porphyrin-21,23-diid-2-yl]propanoic acid

Systemtic Name: mercury(2+); 3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetramethyl-porphyrin-21,23-diid-2-yl]propanoic acid Openeye Name: mercuric 3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetramethyl-porphyrin-21,23-diid-2-yl]propanoic acid CAS Name: mercury(2+); 3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetramethyl-2-porphyrin-21,23-diidyl]propanoic acid IUPAC Name: mercury(2+); 3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid Traditional Name: mercuric 3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetramethyl-porphine-21,23-diid-2-yl]propionic acid Formula: C36H36HgN4O8 MolecularWeight: 853.28304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)CCC(=O)O)C)CCC(=O)O)C)C(=C3C)CCC(=O)O)CCC(=O)O.[Hg+2]

Isomeric SMILES

CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)CCC(=O)O)C)CCC(=O)O)C)C(=C3C)CCC(=O)O)CCC(=O)O.[Hg+2]

InChI

InChI=1S/C36H38N4O8.Hg/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29;/h13-16H,5-12H2,1-4H3,(H6,37,38,39,40,41,42,43,44,45,46,47,48);/q;+2/p-2