[1,1'-Biphenyl]-2,2'-disulfonicacid,5,5'-dimethyl-4,4'-bis[2-[2-oxo-1-[(phenylamino)carbonyl]propyl]diazenyl]-,sodium salt (1:2) (2429-76-7)

The Acid Yellow 44 with cas registry number of 2429-76-7, belongs to the following product categories: (1)Dyes and Pigments; (2)Organics. It has the systematic name of disodium 4,4'-bis{(E)-[1,3-dioxo-1-(phenylamino)butan-2-yl]diazenyl}-5,5'-dimethylbiphenyl-2,2'-disulfonate.

Physical properties about this chemical are: (1)ACD/LogP: 5.86; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 1.35; (4)ACD/LogD (pH 7.4): 1.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.15; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 16; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 249.7 Å².

You can still convert the following datas into molecular structure: 
(1)SMILES: [Na+].[Na+].O=C(Nc1ccccc1)C(/N=N/c4cc(c(c3cc(c(/N=N/C(C(=O)C)C(=O)Nc2ccccc2)cc3S([O-])(=O)=O)C)cc4C)S([O-])(=O)=O)C(=O)C;
(2)InChI: InChI=1/C34H32N6O10S2.2Na/c1-19-15-25(29(51(45,46)47)17-27(19)37-39-31(21(3)41)33(43)35-23-11-7-5-8-12-23)26-16-20(2)28(18-30(26)52(48,49)50)38-40-32(22(4)42)34(44)36-24-13-9-6-10-14-24;;/h5-18,31-32H,1-4H3,(H,35,43)(H,36,44)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2/b39-37+,40-38+;;;
(3)InChIKey: BASONKABNAOEDG-IAXISGSHBP;
(4)Std. InChI: InChI=1S/C34H32N6O10S2.2Na/c1-19-15-25(29(51(45,46)47)17-27(19)37-39-31(21(3)41)33(43)35-23-11-7-5-8-12-23)26-16-20(2)28(18-30(26)52(48,49)50)38-40-32(22(4)42)34(44)36-24-13-9-6-10-14-24;;/h5-18,31-32H,1-4H3,(H,35,43)(H,36,44)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2/b39-37+,40-38+;;;
(5)Std. InChIKey: BASONKABNAOEDG-DVDDBBOFSA-L

The toxicity data is as follows: