Acid Red 118 (12217-35-5)

The Acid Red 118 belongs to the categories of Dyes and Pigments. Its cas registry number is 12217-35-5. This chemical is also known as C.I. Acid Red 118 . Its systematic name is called 6-amino-5-[3-(ethyl-phenyl-sulfamoyl)-4-methyl-phenyl]azo-4-hydroxy-naphthalene-2-sulfonic acid . And its IUPAC name is called 5-[2-[3-[ethyl(phenyl)sulfamoyl]-4-methylphenyl]hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonic acid .

Physical properties about this chemical are: (1) ACD/LogP: 1.18 ; (2) # of Rule of 5 Violations: 2 ; (3) #H bond acceptors: 10 ; (4) #H bond donors: 4 ; (5) #Freely Rotating Bonds: 9 ; (6) Polar Surface Area: 179.48 Å² ; (7) Index of Refraction: 1.681; (8) Molar Refractivity: 140.38 cm³ ; (9) Molar Volume: 370.7 cm³ ; (10) Surface Tension: 61.8 dyne/cm ; (11) Density: 1.45 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: CCN(c1ccccc1)S(=O)(=O)c2cc(ccc2C)N=Nc3c(N)ccc4cc(cc(O)c34)S(O)(=O)=O;
(2)InChI: InChI=1/C25H24N4O6S2/c1-3-29(19-7-5-4-6-8-19)36(31,32)23-14-18(11-9-16(23)2)27-28-25-21(26)12-10-17-13-20(37(33,34)35)15-22(30)24(17)25/h4-15,30H,3,26H2,1-2H3,(H,33,34,35) ;
(3)InChIKey: JQNSWTWZESAPPA-UHFFFAOYAH