Zn (II) protoporphyrin IX dimethyl ester

Catalog Number	ACM15304093
CAS	15304-09-3
Synonyms	Zinc;methyl 3-[7,12-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate
Molecular Weight	654.1
Molecular Formula	C36H36N4O4Zn
Canonical SMILES	CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C=C)C)C(=C3CCC(=O)OC)C)CCC(=O)OC.[Zn+2]
InChI	InChI=1S/C36H36N4O4.Zn/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27;/h9-10,15-18H,1-2,11-14H2,3-8H3;/q-2;+2
InChI Key	ITUJRSHGJJEZFG-UHFFFAOYSA-N
Purity	98%
Complexity	1610
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	652.202797
Heavy Atom Count	45
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Monoisotopic Mass	652.202797
Rotatable Bond Count	10
Topological Polar Surface Area	79.3 Ų