3-[(1Z,4Z,10Z,14Z)-18-(2-carboxyethyl)-8,12-diethyl-3,7,12,17-tetramethyl-13-oxidanylidene-porphyrin-21,22,23,24-tetraid-2-yl]propanoic acid; iron(4+)

Systemtic Name: 3-[(1Z,4Z,10Z,14Z)-18-(2-carboxyethyl)-8,12-diethyl-3,7,12,17-tetramethyl-13-oxidanylidene-porphyrin-21,22,23,24-tetraid-2-yl]propanoic acid; iron(4+) Openeye Name: 3-[(1Z,4Z,10Z,14Z)-18-(2-carboxyethyl)-8,12-diethyl-3,7,12,17-tetramethyl-13-oxo-porphyrin-21,22,23,24-tetraid-2-yl]propanoic acid; iron(4+) CAS Name: 3-[(1Z,4Z,10Z,14Z)-18-(2-carboxyethyl)-8,12-diethyl-3,7,12,17-tetramethyl-13-oxo-2-porphyrin-21,22,23,24-tetraidyl]propanoic acid; iron(4+) IUPAC Name: 3-[(1Z,4Z,10Z,14Z)-18-(2-carboxyethyl)-8,12-diethyl-3,7,12,17-tetramethyl-13-oxoporphyrin-21,22,23,24-tetraid-2-yl]propanoic acid; iron(4+) Traditional Name: 3-[(1Z,4Z,10Z,14Z)-18-(2-carboxyethyl)-8,12-diethyl-13-keto-3,7,12,17-tetramethyl-porphine-21,22,23,24-tetraid-2-yl]propionic acid; iron(4+) Formula: C34H36FeN4O5 MolecularWeight: 636.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C3C(C(=O)C(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=CC(=C1C)[N-]2)[N-]5)C)CCC(=O)O)CCC(=O)O)C)[N-]3)(C)CC.[Fe+4]

Isomeric SMILES

CCC1=C2/C=C\3/C(C(=O)/C(=C/C4=C(C(=C([N-]4)/C=C\5/C(=C(/C(=C/C(=C1C)[N-]2)/[N-]5)C)CCC(=O)O)CCC(=O)O)C)/[N-]3)(C)CC.[Fe+4]

InChI

InChI=1S/C34H39N4O5.Fe/c1-7-20-17(3)23-13-24-18(4)21(9-11-31(39)40)26(35-24)15-27-22(10-12-32(41)42)19(5)25(36-27)14-29-33(43)34(6,8-2)30(38-29)16-28(20)37-23;/h13-16H,7-12H2,1-6H3,(H5-,35,36,37,38,39,40,41,42,43);/q-1;+4/p-3