Barium (29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32)cuprate(2-)

copper;barium(2+);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(36),2,4(9),5,7,10(40),11,13,15,17,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-5,23-disulfonate

Also Known As: Copper phthalocyanine disulfonic acid, barium salt|copper;barium(2+);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(36),2,4(9),5,7,10(40),11,13,15,17,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-5,23-disulfonate|Barium (29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32)cuprate(2-)|barium [29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32]cuprate(2-)|Barium copper(2+) phthalocyanine-6,29-diide-1,15-disulfonate (1/1/1)|Cuprate(2-), (29H,31H-phthalocyanine-C,C-disulfonato(4-)-kappaN29,kappaN30,kappaN31,kappaN32)-, barium (1:1)|Cuprate(2-), [29H,31H-phthalocyanine-C,C-disulfonato(4-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, barium (1:1)|266-653-0|Cuprate(2-), [29H,31H-phthalocyanine-C,C-disulfonato(4-)-kappaN29,kappaN30,kappaN31,kappaN32]-, barium (1:1)|Cuprate(2-),[29H,31H-phthalocyanine-C,C-disulfonato(4-)-kN29,kN30,kN31,kN32]-, barium (1:1)|pigment blue 17:1;fast sky blue; pigment fast paint greenish blue lake; (29h,31h-phthalocyanine-c,c-disulfonato(4-)-n29,n30,n31,n32)cuprate(2-) barium

Molecular Formula	C32H14BaCuN8O6S2
Molecular Weight	870.8826 g/mol
LogP	3.5523
Topological Polar Surface Area	211.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	14
Rotatable Bonds	0
Exact Mass	870.8826
Monoisotopic Mass	870.8826
Heavy Atoms	50
Complexity	1300.0

Chemical Identifiers

CAS Number	67340-41-4
SMILES	C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=C(C(=CC=C8)S(=O)(=O)[O-])C(=N7)N=C2[N-]3)C9=C4C=CC=C9S(=O)(=O)[O-].[Cu+2].[Ba+2]
InChIKey	NGHBMKUPGUYKQG-UHFFFAOYSA-L