Magnesium phthalocyanine

Catalog Number	ACM1661036-4
CAS	1661-03-6
Structure
Synonyms	Phthalocyanine magnesium(II)
IUPAC Name	magnesium;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
Molecular Weight	554.8
Molecular Formula	C32H18MgN8O
Canonical SMILES	C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.O.[Mg+2]
InChI	InChI=1S/C32H16N8.Mg.H2O/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;1H2/q-2;+2;
InChI Key	HTNHYCHFBSVBID-UHFFFAOYSA-N
Purity	95%+
Appearance	Powder
Complexity	1080
Covalently-Bonded Unit Count	2
EC Number	216-766-6
Exact Mass	554.1453989
Formal Charge	0
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Monoisotopic Mass	554.1453989
Rotatable Bond Count	0
Topological Polar Surface Area	77.2