12222-00-3 Purity
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Specification
The PubChem CID of Direct Yellow 106 is 6538333.
The molecular formula of Direct Yellow 106 is C48H26N8Na6O18S6.
The molecular weight of Direct Yellow 106 is 1333.1 g/mol.
The IUPAC name of Direct Yellow 106 is hexasodium;2-[3-sulfonato-4-[(E)-2-[2-sulfonato-4-[[3-sulfonato-4-[(E)-2-[2-sulfonato-4-(5-sulfonatobenzo[e]benzotriazol-2-yl)phenyl]ethenyl]phenyl]diazenyl]phenyl]ethenyl]phenyl]benzo[e]benzotriazole-5-sulfonate.
The InChI of Direct Yellow 106 is InChI=1S/C48H32N8O18S6.6Na/c57-75(58,59)41-21-31(17-13-27(41)9-11-29-15-19-33(23-43(29)77(63,64)65)55-51-39-25-45(79(69,70)71)35-5-1-3-7-37(35)47(39)53-55)49-50-32-18-14-28(42(22-32)76(60,61)62)10-12-30-16-20-34(24-44(30)78(66,67)68)56-52-40-26-46(80(72,73)74)36-6-2-4-8-38(36)48(40)54-56;;;;;;/h1-26H,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74);;;;;;/q;6*+1/p-6/b11-9+,12-10+,50-49?;;;;;;
The canonical SMILES of Direct Yellow 106 is C1=CC=C2C(=C1)C(=CC3=NN(N=C23)C4=CC(=C(C=C4)C=CC5=C(C=C(C=C5)N=NC6=CC(=C(C=C6)C=CC7=C(C=C(C=C7)N8N=C9C=C(C1=CC=CC=C1C9=N8)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
The CAS number of Direct Yellow 106 is 12222-60-5.
The European Community (EC) number of Direct Yellow 106 is 235-416-3.
The hydrogen bond donor count of Direct Yellow 106 is 0.
The rotatable bond count of Direct Yellow 106 is 8.
The synonyms of Direct Yellow 106 are C.I. Direct Yellow 106, 12222-60-5, and 9158061PRA.
The InChIKey of Direct Yellow 106 is YHNSVZNUHTUJMW-KRYTWAHJSA-H.