![{[CurrentData.Name]}](https://resource.alfachemic.com/structure/102601-60-5.gif)
Synonyms
Protoporphyrin IX cobalt chloride;102601-60-5;Co(iii) protoporphyrin ix chloride;
IUPAC Name
3-[18-(2-carboxyethyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;chlorocobalt(2+);
Molecular Weight
655.037g/mol
Molecular Formula
C34H32ClCoN4O4;
Canonical SMILES
CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CCC(=O)O)CCC(=O)O)C)C(=C3C)C=C)C=C.Cl[Co+2];
InChI
InChI=1S/C34H34N4O4.ClH.Co/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;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3;
InChI Key
WWNXKQFLDNSNDN-UHFFFAOYSA-K;
Storage
2-8°C
Complexity
1590
Covalently-Bonded Unit Count
2
Exact Mass
654.144g/mol
H-Bond Acceptor
8
H-Bond Donor
2
Heavy Atom Count
44
Monoisotopic Mass
654.144g/mol
Rotatable Bond Count
8
Topological Polar Surface Area
101A^2
