5-Quinolinesulfonicacid, 8-hydroxy-7-[2-(4-sulfo-1-naphthalenyl)diazenyl]- (117-87-3)

The 8-Hydroxy-7-((4-sulfo-1-naphthyl)azo)quinoline-5-sulfonic acid, with the CAS registry number 117-87-3, is also known as 5-Quinolinesulfonic acid, 8-hydroxy-7-[2-(4-sulfo-1-naphthalenyl)diazenyl]-. Its EINECS registry number is 204-217-3. This chemical's molecular formula is C₁₉H₁₃N₃O₇S₂ and molecular weight is 459.45. Its IUPAC name is called (7E)-8-oxo-7-[(4-sulfonaphthalen-1-yl)hydrazinylidene]quinoline-5-sulfonic acid.

Physical properties of 8-Hydroxy-7-((4-sulfo-1-naphthyl)azo)quinoline-5-sulfonic acid: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 10; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 183.34 Å²; (7)Index of Refraction: 1.757; (8)Molar Refractivity: 111.13 cm³; (9)Molar Volume: 270.7 cm³; (10)Surface Tension: 79 dyne/cm; (11)Density: 1.69 g/cm³.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)NN=C3C=C(C4=C(C3=O)N=CC=C4)S(=O)(=O)O
(2)Isomeric SMILES: C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N/N=C/3\C=C(C4=C(C3=O)N=CC=C4)S(=O)(=O)O
(3)InChI: InChI=1S/C19H13N3O7S2/c23-19-15(10-17(31(27,28)29)13-6-3-9-20-18(13)19)22-21-14-7-8-16(30(24,25)26)12-5-2-1-4-11(12)14/h1-10,21H,(H,24,25,26)(H,27,28,29)/b22-15+
(4)InChIKey: JRORXBHSLYXSKK-PXLXIMEGSA-N