RefChem:528362 structure

RefChem:528362

tetrapotassium;(15,30-dichloro-5,20,27-trisulfonatooxy-2,17-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-12-yl) sulfate

Also Known As: EINECS 258-962-4|5,9,14,18-Anthrazinetetrol, 7,16-dichloro-6,15-dihydro-, tetrakis(hydrogen sulfate) (ester), tetrapotassium salt|tetrapotassium 7,16-dichloro-6,15-dihydrodinaphtho[2,3-a:2',3'-h]phenazine-5,9,14,18-tetrayl tetrasulfate|Tetrapotassium 7,16-dichloro-6,15-dihydroanthrazine-5,9,14,18-tetrayl tetrakis(sulphate)|5,9,14,18-Anthrazinetetrol, 7,16-dichloro-6,15-dihydro-, 5,9,14,18-tetrakis(hydrogen sulfate), potassium salt (1:4)|Tetrapotassium 7,16-dichloro-6,15-dihydroanthrazine-5,9,14,18-tetrayl tetrakis(sulfate)|5,9,14,18-Anthrazinetetrol, 7,16-dichloro-6,15-dihydro-, tetrakis[hydrogen sulfate] (ester), tetrapotassium salt|7,16-Dichloro-6,15-dihydro-5,9,14,18-anthrazinetetrol tetrakis(sulfuric acid potassium) salt

CAS: 54077-86-0
Molecular Formula C28H12Cl2K4N2O16S4
Molecular Weight 985.6995 g/mol
LogP -7.22
Topological Polar Surface Area 289.78 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 18
Rotatable Bonds 8
Exact Mass 985.6995
Heavy Atoms 56
Complexity 2864.3

Chemical Identifiers

CAS Number 54077-86-0
SMILES C1=CC=C2C(=C1)C(=C3C=C(C4=C(C3=C2OS(=O)(=O)[O-])NC5=C(N4)C6=C(C7=CC=CC=C7C(=C6C=C5Cl)OS(=O)(=O)[O-])OS(=O)(=O)[O-])Cl)OS(=O)(=O)[O-].[K+].[K+].[K+].[K+]

Product Overview

RefChem:528362 (CAS 54077-86-0), with molecular formula C28H12Cl2K4N2O16S4 and molecular weight 985.6995 g/mol. IUPAC: tetrapotassium;(15,30-dichloro-5,20,27-trisulfonatooxy-2,17-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-12-yl) sulfate.

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