3-[8-ethenyl-3,7,12,17-tetramethyl-18-(3-oxidanidyl-3-oxidanylidene-propyl)porphyrin-21,24-diid-2-yl]propanoate; hydron; iron(3+); chloride

Systemtic Name: 3-[8-ethenyl-3,7,12,17-tetramethyl-18-(3-oxidanidyl-3-oxidanylidene-propyl)porphyrin-21,24-diid-2-yl]propanoate; hydron; iron(3+); chloride Openeye Name: ferric; hydron; 3-[3,7,12,17-tetramethyl-18-(3-oxido-3-oxo-propyl)-8-vinyl-porphyrin-21,24-diid-2-yl]propanoate; chloride CAS Name: 3-[8-ethenyl-3,7,12,17-tetramethyl-18-(3-oxido-3-oxopropyl)-2-porphyrin-21,24-diidyl]propanoate; hydron; iron(3+); chloride IUPAC Name: 3-[8-ethenyl-3,7,12,17-tetramethyl-18-(3-oxido-3-oxopropyl)porphyrin-21,24-diid-2-yl]propanoate; hydron; iron(3+); chloride Traditional Name: ferric; hydron; 3-[18-(3-keto-3-oxido-propyl)-3,7,12,17-tetramethyl-8-vinyl-porphine-21,24-diid-2-yl]propionate; chloride Formula: C32H30ClFeN4O4 MolecularWeight: 625.903

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Descriptors Computed from Structure

Canonical SMILES:

[H+].[H+].CC1=CC2=NC1=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=C2)[N-]5)C)CCC(=O)[O-])CCC(=O)[O-])C)C(=C3C=C)C.[Cl-].[Fe+3]

Isomeric SMILES

[H+].[H+].CC1=CC2=NC1=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=C2)[N-]5)C)CCC(=O)[O-])CCC(=O)[O-])C)C(=C3C=C)C.[Cl-].[Fe+3]

InChI

InChI=1S/C32H32N4O4.ClH.Fe/c1-6-21-17(3)26-14-27-19(5)23(8-10-32(39)40)30(36-27)15-29-22(7-9-31(37)38)18(4)25(34-29)12-20-11-16(2)24(33-20)13-28(21)35-26;;/h6,11-15H,1,7-10H2,2-5H3,(H4,33,34,35,36,37,38,39,40);1H;/q;;+3/p-3