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NICKEL(II) PHTHALOCYANINE-TETRASULFONIC ACID TETRASODIUM SALT

CAS No.:
27835-99-0
Catalog Number:
AG00BH7E
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00BH7E
Chemical Name:
NICKEL(II) PHTHALOCYANINE-TETRASULFONIC ACID TETRASODIUM SALT
CAS Number:
27835-99-0
MDL Number:
MFCD00012146
IUPAC Name:
tetrasodium;2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-6,15,24,34-tetrasulfonate;nickel(2+)
InChI:
InChI=1S/C32H16N8O12S4.4Na.Ni/c41-53(42,43)13-1-5-17-21(9-13)29-34-25(17)33-26-18-6-2-15(55(47,48)49)11-23(18)31(35-26)40-32-24-12-16(56(50,51)52)4-8-20(24)28(39-32)38-30-22-10-14(54(44,45)46)3-7-19(22)27(36-29)37-30;;;;;/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;4*+1;+2/p-4
InChI Key:
UAMQBHBCNOEWGQ-UHFFFAOYSA-J
Properties
Complexity:
2300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
6  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
977.84g/mol
Formal Charge:
0
Heavy Atom Count:
61  
Hydrogen Bond Acceptor Count:
16  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
979.384g/mol
Monoisotopic Mass:
977.84g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
339A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties