3-[(1Z,4Z,9Z,13E,14Z)-18-(2-carboxyethyl)-8,13-di(ethylidene)-3,7,12,17-tetramethyl-porphyrin-21,22,23,24-tetraid-2-yl]propanoic acid; iron(4+)

Systemtic Name: 3-[(1Z,4Z,9Z,13E,14Z)-18-(2-carboxyethyl)-8,13-di(ethylidene)-3,7,12,17-tetramethyl-porphyrin-21,22,23,24-tetraid-2-yl]propanoic acid; iron(4+) Openeye Name: 3-[(1Z,4Z,9Z,13E,14Z)-18-(2-carboxyethyl)-8,13-di(ethylidene)-3,7,12,17-tetramethyl-porphyrin-21,22,23,24-tetraid-2-yl]propanoic acid; iron(4+) CAS Name: 3-[(1Z,4Z,9Z,13E,14Z)-18-(2-carboxyethyl)-8,13-di(ethylidene)-3,7,12,17-tetramethyl-2-porphyrin-21,22,23,24-tetraidyl]propanoic acid; iron(4+) IUPAC Name: 3-[(1Z,4Z,9Z,13E,14Z)-18-(2-carboxyethyl)-8,13-di(ethylidene)-3,7,12,17-tetramethylporphyrin-21,22,23,24-tetraid-2-yl]propanoic acid; iron(4+) Traditional Name: 3-[(1Z,4Z,9Z,13E,14Z)-18-(2-carboxyethyl)-8,13-di(ethylidene)-3,7,12,17-tetramethyl-porphine-21,22,23,24-tetraid-2-yl]propionic acid; iron(4+) Formula: C34H34FeN4O4 MolecularWeight: 618.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC=C1C(=C2C=C3C(=CC)C(=C([N-]3)C=C4C(=C(C(=CC5=C(C(=C([N-]5)C=C1[N-]2)C)CCC(=O)O)[N-]4)CCC(=O)O)C)C)C.[Fe+4]

Isomeric SMILES

C/C=C/1\C(=C2/C=C\3/C(=CC)C(=C([N-]3)/C=C\4/C(=C(/C(=C/C5=C(C(=C([N-]5)\C=C1/[N-]2)C)CCC(=O)O)/[N-]4)CCC(=O)O)C)C)C.[Fe+4]

InChI

InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8+,26-13-,29-14-,30-15-,31-16-;