(3E)-3-({3,3'-Dimethyl-4'-[(2E)-2-(1-Oxo-4-Sulfo-2(1H)-Naphthalenylidene)Hydrazino]-4-Biphenylyl}Hydrazono)-5-Hydroxy-4-Oxo-3,4-Dihydro-2,7-Naphthalenedisulfonic Acid
[CAS# 5442-09-1]

Identification

• Name: (3E)-3-({3,3'-Dimethyl-4'-[(2E)-2-(1-Oxo-4-Sulfo-2(1H)-Naphthalenylidene)Hydrazino]-4-Biphenylyl}Hydrazono)-5-Hydroxy-4-Oxo-3,4-Dihydro-2,7-Naphthalenedisulfonic Acid
• Synonyms: C.I. Direct Blue 31; Dianil Blue 2R; Direct Blue 2R
• Molecular Formula: C₃₄H₂₆N₄O₁₂S₃
• Molecular Weight: 778.78
• CAS Registry Number: 5442-09-1
• SMILES: O=S(=O)(O)C\6=C\c1cc(cc(O)c1C(=O)C/6=N/Nc2ccc(cc2C)c3ccc(c(c3)C)N/N=C5\C=C(/c4c(cccc4)C5=O)S(=O)(=O)O)S(=O)(=O)O
• InChI: 1S/C34H26N4O12S3/c1-17-11-19(7-9-25(17)35-37-27-16-29(52(45,46)47)23-5-3-4-6-24(23)33(27)40)20-8-10-26(18(2)12-20)36-38-32-30(53(48,49)50)14-21-13-22(51(42,43)44)15-28(39)31(21)34(32)41/h3-16,35-36,39H,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)/b37-27+,38-32-
• InChIKey: LIUQMXVDCQJTFK-RDBJRSDZSA-N

Properties

• Density: 1.662g/cm³ (Cal.)