copper trisodium 3-[18-[bis(oxidanidyl)methylidene]-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-20-(2-oxidanidyl-2-oxidanylidene-ethyl)-2,3-dihydroporphyrin-22-id-2-yl]propanoate

Systemtic Name: copper trisodium 3-[18-[bis(oxidanidyl)methylidene]-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-20-(2-oxidanidyl-2-oxidanylidene-ethyl)-2,3-dihydroporphyrin-22-id-2-yl]propanoate Openeye Name: copper trisodium 3-[18-(dioxidomethylene)-13-ethyl-3,7,12,17-tetramethyl-20-(2-oxido-2-oxo-ethyl)-8-vinyl-2,3-dihydroporphyrin-22-id-2-yl]propanoate CAS Name: copper trisodium 3-[18-(dioxidomethylidene)-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-20-(2-oxido-2-oxoethyl)-2,3-dihydroporphyrin-22-id-2-yl]propanoate IUPAC Name: copper trisodium 3-[18-(dioxidomethylidene)-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-20-(2-oxido-2-oxoethyl)-2,3-dihydroporphyrin-22-id-2-yl]propanoate Traditional Name: cupric trisodium 3-[18-(dioxidomethylene)-13-ethyl-20-(2-keto-2-oxido-ethyl)-3,7,12,17-tetramethyl-8-vinyl-2,3-dihydroporphin-22-id-2-yl]propionate Formula: C34H31CuN4Na3O6 MolecularWeight: 724.14845

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC1=CC3=C(C(=C([O-])[O-])C(=N3)C(=C4C(C(C(=N4)C=C5C(=C(C(=C2)[N-]5)C=C)C)C)CCC(=O)[O-])CC(=O)[O-])C)C.[Na+].[Na+].[Na+].[Cu+2]

Isomeric SMILES

CCC1=C(C2=NC1=CC3=C(C(=C([O-])[O-])C(=N3)C(=C4C(C(C(=N4)C=C5C(=C(C(=C2)[N-]5)C=C)C)C)CCC(=O)[O-])CC(=O)[O-])C)C.[Na+].[Na+].[Na+].[Cu+2]

InChI

InChI=1S/C34H36N4O6.Cu.3Na/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;;;;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43,44);;;;/q;+2;3*+1/p-5