Zn(II) phthalocyanine tetrasulfonic acid

Catalog Number	ACM61586865-1
CAS	61586-86-5
Structure
Synonyms	5,10,15,20-Tetraphenyl-21H,23H-porphine
Molecular Weight	898.2
Molecular Formula	C32H16N8O12S4Zn
Canonical SMILES	C1=CC2=C(C=C1S(=O)(=O)O)C3=NC4=NC(=NC5=C6C=CC(=CC6=C([N-]5)N=C7C8=C(C=C(C=C8)S(=O)(=O)O)C(=N7)N=C2[N-]3)S(=O)(=O)O)C9=C4C=CC(=C9)S(=O)(=O)O.[Zn+2]
InChI	InChI=1S/C32H16N8O12S4.Zn/c41-53(42,43)13-1-5-17-21(9-13)29-33-25(17)37-30-22-10-14(54(44,45)46)2-6-18(22)27(34-30)39-32-24-12-16(56(50,51)52)4-8-20(24)28(36-32)40-31-23-11-15(55(47,48)49)3-7-19(23)26(35-31)38-29;/h1-12H,(H4-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52);/q-2;+2
InChI Key	CNTYIVNBEJZRNM-UHFFFAOYSA-N
Melting Point	>300 ℃
Purity	95%
Storage	room temperature
Complexity	2190
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	895.906194
Heavy Atom Count	57
Hydrogen Bond Acceptor Count	16
Hydrogen Bond Donor Count	4
MDL Number	MFCD00672308
Monoisotopic Mass	895.906194
Rotatable Bond Count	4
Topological Polar Surface Area	327 Ų