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

Systemtic Name: 3-[7,12-bis(ethenyl)-18-[3-[[3-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]amino]-3-oxidanylidene-propyl]-3,8,13,17-tetramethyl-porphyrin-21,23-diid-2-yl]-N-[3-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]propanamide; iron(3+); chloride Openeye Name: ferric N-[3-(4-methoxyphenyl)-4-phenyl-thiazol-2-ylidene]-3-[18-[3-[[3-(4-methoxyphenyl)-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: 3-[7,12-bis(ethenyl)-18-[3-[[3-(4-methoxyphenyl)-4-phenyl-2-thiazolylidene]amino]-3-oxopropyl]-3,8,13,17-tetramethyl-2-porphyrin-21,23-diidyl]-N-[3-(4-methoxyphenyl)-4-phenyl-2-thiazolylidene]propanamide; iron(3+); chloride IUPAC Name: 3-[7,12-bis(ethenyl)-18-[3-[[3-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]amino]-3-oxopropyl]-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]-N-[3-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]propanamide; iron(3+); chloride Traditional Name: ferric 3-[18-[3-keto-3-[[3-(4-methoxyphenyl)-4-phenyl-4-thiazolin-2-ylidene]amino]propyl]-3,8,13,17-tetramethyl-7,12-divinyl-porphine-21,23-diid-2-yl]-N-[3-(4-methoxyphenyl)-4-phenyl-4-thiazolin-2-ylidene]propionamide chloride Formula: C66H56ClFeN8O4S2 MolecularWeight: 1180.63004

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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)N=C6N(C(=CS6)C7=CC=CC=C7)C8=CC=C(C=C8)OC)CCC(=O)N=C9N(C(=CS9)C1=CC=CC=C1)C1=CC=C(C=C1)OC)C)C(=C3C)C=C)C=C.[Cl-].[Fe+3]

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)N=C6N(C(=CS6)C7=CC=CC=C7)C8=CC=C(C=C8)OC)CCC(=O)N=C9N(C(=CS9)C1=CC=CC=C1)C1=CC=C(C=C1)OC)C)C(=C3C)C=C)C=C.[Cl-].[Fe+3]

InChI

InChI=1S/C66H56N8O4S2.ClH.Fe/c1-9-49-39(3)53-33-54-41(5)51(29-31-63(75)71-65-73(45-21-25-47(77-7)26-22-45)61(37-79-65)43-17-13-11-14-18-43)59(69-54)36-60-52(42(6)56(70-60)35-58-50(10-2)40(4)55(68-58)34-57(49)67-53)30-32-64(76)72-66-74(46-23-27-48(78-8)28-24-46)62(38-80-66)44-19-15-12-16-20-44;;/h9-28,33-38H,1-2,29-32H2,3-8H3;1H;/q-2;;+3/p-1