2-[4-Chloro-2-[[1-Hydroxy-6-[[4-[(8-Hydroxy-5-Quinolyl)Azo]Benzoyl]Amino]-3-Sulfo-2-Naphthyl]Azo]Phenoxy]Acetic Acid
[CAS# 16894-30-7]

Identification

• Name: 2-[4-Chloro-2-[[1-Hydroxy-6-[[4-[(8-Hydroxy-5-Quinolyl)Azo]Benzoyl]Amino]-3-Sulfo-2-Naphthyl]Azo]Phenoxy]Acetic Acid
• Synonyms: Acetic acid, [4-chloro-2-[[1-hydroxy-6-[[4-[(8-hydroxy-5-quinolinyl)azo]benzoyl]amino]-3-sulfo-2-naphthalenyl]azo]phenoxy]-
• Molecular Formula: C₃₄H₂₃ClN₆O₉S
• Molecular Weight: 727.10
• CAS Registry Number: 16894-30-7
• SMILES: c1cc2c(ccc(c2nc1)O)N=Nc3ccc(cc3)C(=O)Nc4ccc5c(c4)cc(c(c5O)N=Nc6cc(ccc6OCC(=O)O)Cl)S(=O)(=O)O
• InChI: 1S/C34H23ClN6O9S/c35-20-5-12-28(50-17-30(43)44)26(16-20)40-41-32-29(51(47,48)49)15-19-14-22(8-9-23(19)33(32)45)37-34(46)18-3-6-21(7-4-18)38-39-25-10-11-27(42)31-24(25)2-1-13-36-31/h1-16,42,45H,17H2,(H,37,46)(H,43,44)(H,47,48,49)
• InChIKey: FLSIXDLJEFVEST-UHFFFAOYSA-N

Properties

• Density: 1.597g/cm³ (Cal.)
• Refractive index: 1.737 (Cal.)