Barium bis(3-nitro-4-((1-(phenylcarbamoyl)acetonyl)azo)benzenesulphonate)

bis(4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-3-nitrobenzenesulfonate);barium(2+)

Also Known As: Pigment yellow 61:1|C.I. Pigment yellow 61:1|EINECS 226-104-8|C16H14N4O7S.1/2Ba|C16-H14-N4-O7-S.1/2Ba|C.I.13880:1|Barium bis(3-nitro-4-((1-(phenylcarbamoyl)acetonyl)azo)benzenesulphonate)|bariumbis[3-nitro-4-[[1- acetonyl]azo]benzenesulphonate]|Barium bis[3-nitro-4-[[1-(phenylcarbamoyl)acetonyl]azo]benzenesulphonate]|Barium bis[3-nitro-4-[[1-(phenylcarbamoyl)acetonyl]azo]benzenesulfonate]|Benzenesulfonic acid, 3-nitro-4-((2-oxo-1-((phenylamino)carbonyl)propyl)azo)-, barium salt (2:1)|Benzenesulfonic acid,3-nitro-4-[2-[2-oxo-1-[(phenylamino)carbonyl]propyl]diazenyl]-, barium salt(2:1)|4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-3-nitrobenzenesulfonate; barium(2+)|barium bis(4-{(e)-[1,3-dioxo-1-(phenylamino)butan-2-yl]diazenyl}-3-nitrobenzenesulfonate)|Barium bis{4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-3-nitrobenzene-1-sulfonate}|Benzenesulfonic acid, 3-nitro-4-[[1-(phenylcarbamoyl)acetonyl]azo]-, barium salt (2:1)|226-104-8|Benzenesulfonic acid, 3-nitro-4-(2-(2-oxo-1-((phenylamino)carbonyl)propyl)diazenyl)-, barium salt (2:1)|Benzenesulfonic acid, 3-nitro-4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]-, barium salt (2:1)

Molecular Formula	C32H26BaN8O14S2
Molecular Weight	948.0062 g/mol
LogP	3.98
Topological Polar Surface Area	342.46 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	18
Rotatable Bonds	14
Exact Mass	948.0062
Heavy Atoms	57
Complexity	2282.1

Chemical Identifiers

CAS Number	5280-69-3
SMILES	CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-].CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-].[Ba+2]