3-[(1Z,4Z,14Z)-18-(2-carboxyethyl)-7-ethenyl-12-ethyl-3,8,13,17-tetramethyl-10,11-dihydroporphyrin-21,22,23,24-tetraid-2-yl]propanoic acid; iron(4+)

Systemtic Name: 3-[(1Z,4Z,14Z)-18-(2-carboxyethyl)-7-ethenyl-12-ethyl-3,8,13,17-tetramethyl-10,11-dihydroporphyrin-21,22,23,24-tetraid-2-yl]propanoic acid; iron(4+) Openeye Name: 3-[(1Z,4Z,14Z)-18-(2-carboxyethyl)-12-ethyl-3,8,13,17-tetramethyl-7-vinyl-10,11-dihydroporphyrin-21,22,23,24-tetraid-2-yl]propanoic acid; iron(4+) CAS Name: 3-[(1Z,4Z,14Z)-18-(2-carboxyethyl)-7-ethenyl-12-ethyl-3,8,13,17-tetramethyl-10,11-dihydroporphyrin-21,22,23,24-tetraid-2-yl]propanoic acid; iron(4+) IUPAC Name: 3-[(1Z,4Z,14Z)-18-(2-carboxyethyl)-7-ethenyl-12-ethyl-3,8,13,17-tetramethyl-10,11-dihydroporphyrin-21,22,23,24-tetraid-2-yl]propanoic acid; iron(4+) Traditional Name: 3-[(1Z,4Z,14Z)-18-(2-carboxyethyl)-12-ethyl-3,8,13,17-tetramethyl-7-vinyl-10,11-dihydroporphine-21,22,23,24-tetraid-2-yl]propionic acid; iron(4+) Formula: C34H36FeN4O4 MolecularWeight: 620.51904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=CC5=C(C(=C([N-]5)CC1[N-]2)C)C=C)[N-]4)C)CCC(=O)O)CCC(=O)O)C)C.[Fe+4]

Isomeric SMILES

CCC1=C(/C/2=C/C3=C(C(=C([N-]3)/C=C\4/C(=C(/C(=C/C5=C(C(=C([N-]5)CC1[N-]2)C)C=C)/[N-]4)C)CCC(=O)O)CCC(=O)O)C)C.[Fe+4]

InChI

InChI=1S/C34H36N4O4.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;/h8,13,15-16,29H,2,7,9-12,14H2,1,3-6H3,(H,39,40)(H,41,42);/q-4;+4/b25-13-,28-15-,32-16-;