Ni(II) protoporphyrin IX

Catalog Number	ACM15415302
CAS	15415-30-2
Synonyms	Nickelate(2-), (7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24)-, dihydrogen, (SP-4-2)-
Molecular Weight	619.34
Molecular Formula	C34H32N4NiO4
Canonical SMILES	[H+].[H+].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)CCC(=O)[O-])CCC(=O)[O-].[Ni+2]
InChI	InChI=1S/C34H34N4O4.Ni/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);/q;+2/p-2
InChI Key	IJROJBFZULUEEG-UHFFFAOYSA-L
Purity	98%
Complexity	995
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	618.177697
Heavy Atom Count	43
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Monoisotopic Mass	618.177697
Rotatable Bond Count	6
Topological Polar Surface Area	108 Ų