AC1L49NM

tetrasodium;3-[[9,10-dioxo-4,5,8-tris(3-sulfonatopropylamino)anthracen-1-yl]amino]propane-1-sulfonate

Also Known As: 1-Propanesulfonic acid, 3,3',3'',3'''-((9,10-dihydro-9,10-dioxo-1,4,5,8-anthracenetetrayl)tetramino)tetrakis-, sodium salt|3,3',3'',3'''-((9,10-Dihydro-9,10-dioxo-1,4,5,8-anthracenetetrayl)tetramino)tetrakis-1-propanesulfonic acid sodium salt|1-Propanesulfonic acid, 3,3',3'',3'''-[(9,10-dihydro-9,10-dioxo-1,4,5,8-anthracenetetrayl)tetraimino]tetrakis-, sodium salt|Tetrasodium 3,3',3'',3'''-[(9,10-dioxo-9,10-dihydroanthracene-1,4,5,8-tetrayl)tetrakis(azanediyl)]tetra(propane-1-sulfonate)|tetrasodium 3-[[9,10-dioxo-4,5,8-tris(3-sulfonatopropylamino)anthracen-1-yl]amino]propane-1-sulfonate

Molecular Formula	C26H32N4Na4O14S4
Molecular Weight	844.0389 g/mol
LogP	-12.1332
Topological Polar Surface Area	345.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	18
Rotatable Bonds	16
Exact Mass	844.0389
Monoisotopic Mass	844.0389
Heavy Atoms	52
Complexity	1250.0

Chemical Identifiers

CAS Number	69657-97-2
SMILES	C1=CC(=C2C(=C1NCCCS(=O)(=O)[O-])C(=O)C3=C(C=CC(=C3C2=O)NCCCS(=O)(=O)[O-])NCCCS(=O)(=O)[O-])NCCCS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIKey	JQEQWOBJLAWURY-UHFFFAOYSA-J