3-[8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-18-(3-oxidanidyl-3-oxidanylidene-propyl)porphyrin-21,24-diid-2-yl]propanoate; hydron; manganese(3+)

Systemtic Name: 3-[8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-18-(3-oxidanidyl-3-oxidanylidene-propyl)porphyrin-21,24-diid-2-yl]propanoate; hydron; manganese(3+) Openeye Name: manganic; 3-[8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-18-(3-oxido-3-oxo-propyl)porphyrin-21,24-diid-2-yl]propanoate; hydron CAS Name: 3-[8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-18-(3-oxido-3-oxopropyl)-2-porphyrin-21,24-diidyl]propanoate; hydron; manganese(3+) IUPAC Name: 3-[8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-18-(3-oxido-3-oxopropyl)porphyrin-21,24-diid-2-yl]propanoate; hydron; manganese(3+) Traditional Name: manganic; 3-[8,13-bis(1-hydroxyethyl)-18-(3-keto-3-oxido-propyl)-3,7,12,17-tetramethyl-porphine-21,24-diid-2-yl]propionate; hydron Formula: C34H35MnN4O6 MolecularWeight: 650.602949

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C(C)O)C)C(C)O)C)CCC(=O)[O-])CCC(=O)[O-].[Mn+3]

Isomeric SMILES

[H+].CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C(C)O)C)C(C)O)C)CCC(=O)[O-])CCC(=O)[O-].[Mn+3]

InChI

InChI=1S/C34H38N4O6.Mn/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27;/h11-14,19-20,39-40H,7-10H2,1-6H3,(H4,35,36,37,38,41,42,43,44);/q;+3/p-3