magnesium 3-[8,13-bis(ethenyl)-18-(3-methoxy-1-oxidanyl-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-porphyrin-21,24-diid-2-yl]propanoic acid

Systemtic Name: magnesium 3-[8,13-bis(ethenyl)-18-(3-methoxy-1-oxidanyl-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-porphyrin-21,24-diid-2-yl]propanoic acid Openeye Name: magnesium 3-[18-(1-hydroxy-3-methoxy-3-oxo-propyl)-3,7,12,17-tetramethyl-8,13-divinyl-porphyrin-21,24-diid-2-yl]propanoic acid CAS Name: magnesium 3-[8,13-bis(ethenyl)-18-(1-hydroxy-3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-2-porphyrin-21,24-diidyl]propanoic acid IUPAC Name: magnesium 3-[8,13-bis(ethenyl)-18-(1-hydroxy-3-methoxy-3-oxopropyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid Traditional Name: magnesium 3-[18-(1-hydroxy-3-keto-3-methoxy-propyl)-3,7,12,17-tetramethyl-8,13-divinyl-porphine-21,24-diid-2-yl]propionic acid Formula: C35H34MgN4O5 MolecularWeight: 614.97326

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Descriptors Computed from Structure

Canonical SMILES:

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)C)C=C)C)C(CC(=O)OC)O)CCC(=O)O.[Mg+2]

Isomeric SMILES

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)C)C=C)C)C(CC(=O)OC)O)CCC(=O)O.[Mg+2]

InChI

InChI=1S/C35H35N4O5.Mg/c1-8-21-17(3)24-12-25-19(5)23(10-11-33(41)42)30(38-25)15-31-35(32(40)16-34(43)44-7)20(6)27(39-31)14-29-22(9-2)18(4)26(37-29)13-28(21)36-24;/h8-9,12-15,32,40H,1-2,10-11,16H2,3-7H3,(H2-,36,37,38,39,41,42);/q-1;+2/p-1