Molecule structure of Direct Green 26 (CAS NO.6388-26-7):
IUPAC Name: pentasodium (3E)-3-[[4-[[4-Anilino-6-[[(7Z)-7-[[4-(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl-2-methoxy-5-methylphenyl]hydrazinylidene]-8-oxo-3,6-disulfonatonaphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate
Molecular Weight: 1333.07547 g/mol
Molecular Formula: C50H33N12Na5O18S4
H-Bond Donor: 6
H-Bond Acceptor: 30
Rotatable Bond Count: 13
Tautomer Count: 978
Exact Mass: 1332.040708
MonoIsotopic Mass: 1332.040708
Topological Polar Surface Area: 481
Heavy Atom Count: 89
Complexity: 3050
Canonical SMILES: CC1=CC(=C(C=C1N=NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)[O-])OC)NN=C4C(=CC5=CC(=CC(=C5C4=O)NC6=NC(=NC(=N6)NC7=CC=C(C=C7)NN=C8C=CC(=O)
C(=C8)C(=O)[O-])NC9=CC=CC=C9)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
Isomeric SMILES: CC1=CC(=C(C=C1N=NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)[O-])OC)N/N=C/4\C(=CC5=CC(=CC(=C5C4=O)NC6=NC(=NC(=N6)NC7=CC=C(C=C7)N/N=C/8\C=CC(=O)C(=C8)C(=O)[O-])NC9=CC=CC=C9)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
InChI: 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;;;;;/h3-23,57,60,64H,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/b58-30+,61-59?,62-45+;;;;;
InChIKey: ZHGFWTBUCKEOAW-HEFFTFRHSA-I
EINECS: 228-995-9
Product Categories: Organics
Direct Green 26 (CAS NO.6388-26-7) is mainly used for cotton, viscose fiber dyeing and direct printing fabric. It can also be used for silk and fabric dyeing and printing. Direct Green 26 can also be used for paper, leather, dyeing regenerated cellulose film.
Direct Green 26 (CAS NO.6388-26-7) is also named as C.I. Direct Green 26, pentasodium salt ; Benzoic acid, 2-hydroxy-5-((4-((4-((8-hydroxy-7-((4-((8-hydroxy-3,6-disulfo-1-naphthalenyl)azo)-2-methoxy-5-methylphenyl)azo)-3,6-disulfo-1-naphthalenyl)amino)-6-(phenylami no)-1,3,5-triazin-2-yl)amino)phenyl)azo)-, pentasodium salt ; Benzoic acid, 2-hydroxy-5-((4-((4-((8-hydroxy-7-((4-((8-hydroxy-3,6-disulfo-1-naphthalenyl)azo)-2-methoxy-5-methylphenyl)azo)-3,6-disulfo-1-naphthalenyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)phenyl)azo)-, pentasodium salt ; Benzoic acid, 2-hydroxy-5-(2-(4-((4-((8-hydroxy-7-(2-(4-(2-(8-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl)-2-methoxy-5-methylphenyl)diazenyl)-3,6-disulfo-1-naphthalenyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)phenyl)diazenyl)-, sodium salt (1:5) . Direct Green 26 (CAS NO.6388-26-7) is black powder. It is soluble in water, solution is green. It not soluble in organic solvents. In concentrated sulfuric acid is yellowish green, diluted produce dark blue precipitation.
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