5,10,15,20-Tetrakis(4-carboxymethyloxyphenyl)porphyrin nickel

Catalog Number	ACM144811041
CAS	144811-04-1
Synonyms	Nickel(2+);2-[4-[10,15,20-tris[4-(carboxymethoxy)phenyl]porphyrin-22,24-diid-5-yl]phenoxy]acetic acid
Molecular Weight	967.56
Molecular Formula	C52H36N4NiO12
Canonical SMILES	C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OCC(=O)O)C8=CC=C(C=C8)OCC(=O)O)C=C4)C9=CC=C(C=C9)OCC(=O)O)[N-]3)OCC(=O)O.[Ni+2]
InChI	InChI=1S/C52H38N4O12.Ni/c57-45(58)25-65-33-9-1-29(2-10-33)49-37-17-19-39(53-37)50(30-3-11-34(12-4-30)66-26-46(59)60)41-21-23-43(55-41)52(32-7-15-36(16-8-32)68-28-48(63)64)44-24-22-42(56-44)51(40-20-18-38(49)54-40)31-5-13-35(14-6-31)67-27-47(61)62;/h1-24H,25-28H2,(H6,53,54,55,56,57,58,59,60,61,62,63,64);/q;+2/p-2
InChI Key	FVTOLJSXTBDEQI-UHFFFAOYSA-L
Purity	98%
Complexity	1870
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	966.168314
Heavy Atom Count	69
Hydrogen Bond Acceptor Count	16
Hydrogen Bond Donor Count	4
Monoisotopic Mass	966.168314
Rotatable Bond Count	16
Topological Polar Surface Area	213 Ų