C3801

Chicago Sky Blue 6B

• Synonym(s): Direct Blue 1, Pontamine sky blue
• Empirical Formula (Hill Notation): C₃₄H₂₄N₆Na₄O₁₆S₄
• CAS Number: 2610-05-1
• Molecular Weight: 992.80
• Colour Index Number: 24410
• EC Number: 220-026-8
• MDL number: MFCD00004020
• UNSPSC Code: 12171500

Properties

• composition: Dye content, ≥30%
• SMILES string: [Na+].[Na+].[Na+].[Na+].COc1cc(ccc1\N=N\c2ccc3c(cc(c(N)c3c2O)S([O-])(=O)=O)S([O-])(=O)=O)-c4ccc(\N=N\c5ccc6c(cc(c(N)c6c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c4
• InChI: 1S/C34H28N6O16S4.4Na/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-37+,40-38+;;;;
• InChI key: BPHHNXJPFPEJOF-GPTZEZBUSA-J