magnesium; 3-[13-ethenyl-8-ethyl-3,7,12,17-tetramethyl-18-(3-oxidanidyl-3-oxidanylidene-propyl)porphyrin-21,24-diid-2-yl]propanoate; hydron

Systemtic Name: magnesium; 3-[13-ethenyl-8-ethyl-3,7,12,17-tetramethyl-18-(3-oxidanidyl-3-oxidanylidene-propyl)porphyrin-21,24-diid-2-yl]propanoate; hydron Openeye Name: magnesium; 3-[8-ethyl-3,7,12,17-tetramethyl-18-(3-oxido-3-oxo-propyl)-13-vinyl-porphyrin-21,24-diid-2-yl]propanoate; hydron CAS Name: magnesium; 3-[13-ethenyl-8-ethyl-3,7,12,17-tetramethyl-18-(3-oxido-3-oxopropyl)-2-porphyrin-21,24-diidyl]propanoate; hydron IUPAC Name: magnesium; 3-[13-ethenyl-8-ethyl-3,7,12,17-tetramethyl-18-(3-oxido-3-oxopropyl)porphyrin-21,24-diid-2-yl]propanoate; hydron Traditional Name: magnesium; 3-[8-ethyl-18-(3-keto-3-oxido-propyl)-3,7,12,17-tetramethyl-13-vinyl-porphine-21,24-diid-2-yl]propionate; hydron Formula: C34H34MgN4O4 MolecularWeight: 586.96316

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Descriptors Computed from Structure

Canonical SMILES:

[H+].[H+].CCC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=CC5=NC(=CC1=N2)C(=C5C=C)C)[N-]4)C)CCC(=O)[O-])CCC(=O)[O-])C)C.[Mg+2]

Isomeric SMILES

[H+].[H+].CCC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=CC5=NC(=CC1=N2)C(=C5C=C)C)[N-]4)C)CCC(=O)[O-])CCC(=O)[O-])C)C.[Mg+2]

InChI

InChI=1S/C34H36N4O4.Mg/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h8,13-16H,2,7,9-12H2,1,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2