61968-26-1 Purity
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Specification
The molecular formula of Direct Green 26 is C50H33N12Na5O18S4.
The molecular weight of Direct Green 26 is 1333.1 g/mol.
The IUPAC name of Direct Green 26 is pentasodium;5-[[4-[[4-anilino-6-[[8-hydroxy-7-[[4-[(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-3,6-disulfonatonaphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-2-hydroxybenzoate.
The InChI of Direct Green 26 is InChI=1S/C50H38N12O18S4.5Na/c1-24-14-36(41(80-2)23-35(24)59-61-38-21-32(82(71,72)73)15-25-16-33(83(74,75)76)22-40(64)43(25)38)60-62-45-42(84(77,78)79)18-26-17-31(81(68,69)70)20-37(44(26)46(45)65)53-50-55-48(51-27-6-4-3-5-7-27)54-49(56-50)52-28-8-10-29(11-9-28)57-58-30-12-13-39(63)34(19-30)47(66)67;;;;;/h3-23,63-65H,1-2H3,(H,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H3,51,52,53,54,55,56);;;;;/q;5*+1/p-5.
The canonical SMILES of Direct Green 26 is CC1=CC(=C(C=C1N=NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)[O-])OC)N=NC4=C(C5=C(C=C(C=C5C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=NC(=NC(=N6)NC7=CC=C(C=C7)N=NC8=CC(=C(C=C8)O)C(=O)[O-])NC9=CC=CC=C9)O.[Na+].[Na+].[Na+].[Na+].[Na+].
The CAS number of Direct Green 26 is 6388-26-7.
The European Community (EC) number of Direct Green 26 is 228-995-9.
The hydrogen bond donor count of Direct Green 26 is 6.
The hydrogen bond acceptor count of Direct Green 26 is 30.
The topological polar surface area of Direct Green 26 is 521 ?2.