Disodium 5-({4-[Butyl(2-Sulfoethyl)Amino]Phenyl}{4-[Butyl(2-Sulfonatoethyl)Amino]Phenyl}Methyl)-2-Hydroxy-3-Methylbenzoate
[CAS# 10142-91-3]

Identification

• Name: Disodium 5-({4-[Butyl(2-Sulfoethyl)Amino]Phenyl}{4-[Butyl(2-Sulfonatoethyl)Amino]Phenyl}Methyl)-2-Hydroxy-3-Methylbenzoate
• Synonyms: Benzoic acid, 5-[bis[4-[butyl(2-sulfoethyl)amino]phenyl]methyl]-2-hydroxy-3-methyl-, disodium salt
• Molecular Formula: C₃₃H₄₂N₂Na₂O₉S₂
• Molecular Weight: 720.80
• CAS Registry Number: 10142-91-3
• SMILES: CCCCN(CCS(=O)(=O)O)c1ccc(cc1)C(c2ccc(cc2)N(CCCC)CCS(=O)(=O)[O-])c3cc(c(c(c3)C(=O)[O-])O)C.[Na+].[Na+]
• InChI: 1S/C33H44N2O9S2.2Na/c1-4-6-16-34(18-20-45(39,40)41)28-12-8-25(9-13-28)31(27-22-24(3)32(36)30(23-27)33(37)38)26-10-14-29(15-11-26)35(17-7-5-2)19-21-46(42,43)44;;/h8-15,22-23,31,36H,4-7,16-21H2,1-3H3,(H,37,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2
• InChIKey: QUTPXBDJXNQYQV-UHFFFAOYSA-L

Properties

• Refractive index: (Cal.)