Vat Brown 1, Solubilised
[CAS# 23725-15-7]

Identification

• Name: Vat Brown 1, Solubilised
• Synonyms: Tinosol Brown Br; Ahcovat Soluble Brown Ibr; Algosol Brown Ibr-Cf
• Molecular Formula: C₄₂H₁₆N₂Na₆O₂₄S₆
• Molecular Weight: 1262.89
• CAS Registry Number: 23725-15-7
• EINECS: 245-841-6
• SMILES: C3=CC2=C(O[S]([O-])(=O)=O)C1=CC=CC=C1C(=C2C%11=C3C%10=C4C(=NC6=C4C=CC7=C(O[S]([O-])(=O)=O)C5=CC=CC=C5C(=C67)O[S]([O-])(=O)=O)C9=C(O[S]([O-])(=O)=O)C8=CC=CC=C8C(=C9C%10=N%11)O[S]([O-])(=O)=O)O[S]([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C42H22N2O24S6.6Na/c45-69(46,47)63-37-17-7-1-3-9-19(17)39(65-71(51,52)53)29-25(37)15-13-23-27-28-24-14-16-26-30(40(66-72(54,55)56)20-10-4-2-8-18(20)38(26)64-70(48,49)50)34(24)44-36(28)32-31(35(27)43-33(23)29)41(67-73(57,58)59)21-11-5-6-12-22(21)42(32)68-74(60,61)62;;;;;;/h1-16H,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;;;/q;6*+1/p-6
• InChIKey: CDHAWSVNAQKAAP-UHFFFAOYSA-H