N-[3-(2,3-dimethylphenyl)-4-phenyl-1,3-thiazol-2-ylidene]-3-[18-[3-[[3-(2,3-dimethylphenyl)-4-phenyl-1,3-thiazol-2-ylidene]amino]-3-oxidanylidene-propyl]-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-porphyrin-21,23-diid-2-yl]propanamide; iron(3+); chloride

Systemtic Name: N-[3-(2,3-dimethylphenyl)-4-phenyl-1,3-thiazol-2-ylidene]-3-[18-[3-[[3-(2,3-dimethylphenyl)-4-phenyl-1,3-thiazol-2-ylidene]amino]-3-oxidanylidene-propyl]-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-porphyrin-21,23-diid-2-yl]propanamide; iron(3+); chloride Openeye Name: ferric N-[3-(2,3-dimethylphenyl)-4-phenyl-thiazol-2-ylidene]-3-[18-[3-[[3-(2,3-dimethylphenyl)-4-phenyl-thiazol-2-ylidene]amino]-3-oxo-propyl]-3,8,13,17-tetramethyl-7,12-divinyl-porphyrin-21,23-diid-2-yl]propanamide chloride CAS Name: N-[3-(2,3-dimethylphenyl)-4-phenyl-2-thiazolylidene]-3-[18-[3-[[3-(2,3-dimethylphenyl)-4-phenyl-2-thiazolylidene]amino]-3-oxopropyl]-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-2-porphyrin-21,23-diidyl]propanamide; iron(3+); chloride IUPAC Name: N-[3-(2,3-dimethylphenyl)-4-phenyl-1,3-thiazol-2-ylidene]-3-[18-[3-[[3-(2,3-dimethylphenyl)-4-phenyl-1,3-thiazol-2-ylidene]amino]-3-oxopropyl]-7,12-bis(ethenyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanamide; iron(3+); chloride Traditional Name: ferric N-[3-(2,3-dimethylphenyl)-4-phenyl-4-thiazolin-2-ylidene]-3-[18-[3-[[3-(2,3-dimethylphenyl)-4-phenyl-4-thiazolin-2-ylidene]amino]-3-keto-propyl]-3,8,13,17-tetramethyl-7,12-divinyl-porphine-21,23-diid-2-yl]propionamide chloride Formula: C68H60ClFeN8O2S2 MolecularWeight: 1176.6844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=CSC2=NC(=O)CCC3=C4C=C5C(=C(C(=N5)C=C6C(=C(C(=CC7=NC(=CC(=C3C)[N-]4)C(=C7C)C=C)[N-]6)C=C)C)C)CCC(=O)N=C8N(C(=CS8)C9=CC=CC=C9)C1=CC=CC(=C1C)C)C1=CC=CC=C1)C.[Cl-].[Fe+3]

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=CSC2=NC(=O)CCC3=C4C=C5C(=C(C(=N5)C=C6C(=C(C(=CC7=NC(=CC(=C3C)[N-]4)C(=C7C)C=C)[N-]6)C=C)C)C)CCC(=O)N=C8N(C(=CS8)C9=CC=CC=C9)C1=CC=CC(=C1C)C)C1=CC=CC=C1)C.[Cl-].[Fe+3]

InChI

InChI=1S/C68H60N8O2S2.ClH.Fe/c1-11-49-43(7)53-33-54-45(9)51(29-31-65(77)73-67-75(61-27-19-21-39(3)41(61)5)63(37-79-67)47-23-15-13-16-24-47)59(71-54)36-60-52(46(10)56(72-60)35-58-50(12-2)44(8)55(70-58)34-57(49)69-53)30-32-66(78)74-68-76(62-28-20-22-40(4)42(62)6)64(38-80-68)48-25-17-14-18-26-48;;/h11-28,33-38H,1-2,29-32H2,3-10H3;1H;/q-2;;+3/p-1