iron(2+); methyl 3-[7,12-bis(ethenyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-porphyrin-21,23-diid-2-yl]propanoate

Systemtic Name: iron(2+); methyl 3-[7,12-bis(ethenyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-porphyrin-21,23-diid-2-yl]propanoate Openeye Name: ferrous methyl 3-[18-(3-methoxy-3-oxo-propyl)-3,8,13,17-tetramethyl-7,12-divinyl-porphyrin-21,23-diid-2-yl]propanoate CAS Name: 3-[7,12-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-2-porphyrin-21,23-diidyl]propanoic acid methyl ester; iron(2+) IUPAC Name: iron(2+); methyl 3-[7,12-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate Traditional Name: ferrous 3-[18-(3-keto-3-methoxy-propyl)-3,8,13,17-tetramethyl-7,12-divinyl-porphine-21,23-diid-2-yl]propionic acid methyl ester Formula: C36H36FeN4O4 MolecularWeight: 644.54044

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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)C)CCC(=O)OC)CCC(=O)OC)C)C(=C3C)C=C)C=C.[Fe+2]

Isomeric SMILES

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

InChI

InChI=1S/C36H36N4O4.Fe/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27;/h9-10,15-18H,1-2,11-14H2,3-8H3;/q-2;+2