Molecule ID: 9548563

IUPAC Name: magnesium;3-[8,13-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethylporphyrin-21,23-diium-22,24-diid-2-yl]propanoic acid

Description: The molecule is a dicarboxylic acid monoester, a methyl ester and a magnesium porphyrin. It derives from a magnesium protoporphyrin. It is a conjugate acid of a magnesium protoporphyrin 13-monomethyl ester(1-).

SMILES: C=CC1=C2/C=C3\N=C(C=C4[NH+]=C(C=c5[n-]c(c(C=C)c5C)=CC(=C1C)[NH2+]2)C(C)=C4CCC(=O)O)C(CCC(=O)OC)=C3C.[Mg+2]

SELFIES: [C][=C][C][=C][/C][=C][\N][=C][Branch2][Branch1][Ring1][C][=C][NH1+1][=C][Branch2][Ring1][=N][C][=C][N-1][C][Branch1][#Branch2][C][Branch1][Ring1][C][=C][=C][Ring1][#Branch1][C][=C][C][=Branch1][=Branch1][=C][Ring2][Ring1][=Branch1][C][NH2+1][Ring2][Ring1][#Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][C][C][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring2][Branch1][C].[Mg+2]

InChI: InChI=1S/C35H35N4O4.Mg/c1-8-22-18(3)26-14-27-20(5)24(10-12-34(40)41)32(38-27)17-33-25(11-13-35(42)43-7)21(6)29(39-33)16-31-23(9-2)19(4)28(37-31)15-30(22)36-26;/h8-9,14-17H,1-2,10-13H2,3-7H3,(H2-,36,37,38,39,40,41);/q-1;+2/p+1/b26-14?,27-14-,28-15-,29-16-,30-15?,31-16?,32-17?,33-17-;

Molecular Properties:
- Polar Surface Area: 93.5 Ų
- LogP: nan