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3626-29-7

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Basic Information
CAS No.: 3626-29-7
Name: Direct Brown 101
Molecular Structure:
Molecular Structure of 3626-29-7 (Direct Brown 101)
Formula: C36H24N6O9S
Molecular Weight: 782.621
Synonyms: C.I. DirectBrown 101 (7CI);C.I. Direct Brown 101, trisodium salt (8CI);Benzo ChromeBrown LG;Chloramine Chrome Brown G;Chrome Leather Brown;ChromeLeather Brown GL;Cuprofix Brown RGL;Curol Brown RT;Curon Brown RT;DermaFast Brown W-G;Dicorel Brown NRL;Direct Fast Brown MG;Direct Fast Brown NRL;Direct Fast Brown ZhKh;Direct Resist Brown MRL;Fastusol Brown RT;Fenaluz Brown RT;Helion Brown GL;Kayarus Brown RT;Saturn Brown 2RT;Sirius Supra Brown RT;Solamine Fast BrownRT;Solar Brown GCR;Solius Brown RT;Solius Brown T;Solius Light Brown T;Tertrodirect Fast Brown 10G;Wogenal Brown CGR;
Density: 1.52 g/cm3
PSA: 251.97000
LogP: 10.88810
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Chemistry

Molecular Structure of C.I. Direct Brown 101, trisodium salt (CAS NO.3626-29-7):

IUPAC Name: 3-[[4-[4-[4-[2-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]phenyl]diazenyl-7-sulfonaphthalen-1-yl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid; sodium 
Empirical Formula: C36H24N6O9S
Molecular Weight: 716.6756
H bond acceptors: 15
H bond donors: 5
Freely Rotating Bonds: 10
Polar Surface Area: 194.41 Å2
Index of Refraction: 1.73
Molar Refractivity: 187.21 cm3
Molar Volume: 468.8 cm3
Surface Tension: 69.7 dyne/cm
Density: 1.52 g/cm3
InChI
InChI=1/C36H24N6O9S.3Na/c43-33-15-9-24(17-29(33)35(45)46)39-37-22-5-1-20(2-6-22)21-3-7-23(8-4-21)38-41-31-13-14-32(28-19-26(52(49,50)51)11-12-27(28)31)42-40-25-10-16-34(44)30(18-25)36(47)48;;;/h1-19,43-44H,(H,45,46)(H,47,48)(H,49,50,51);;;/q;3*+1/p-3/b39-37+,41-38+,42-40+;;;
Smiles
S(c1cc2c(\N=N\c3cc(C([O-])=O)c(cc3)O)ccc(\N=N\c3ccc(c4ccc(\N=N\c5cc(C([O-])=O)c(cc5)O)cc4)cc3)c2cc1)([O-])(=O)=O.[Na+].[Na+].[Na+]

Specification

 C.I. Direct Brown 101, trisodium salt , with CAS number of 3626-29-7, can be called Fenaluz Brown RT ; Helion Brown GL ; Kayarus Brown RT ; Saturn Brown 2RT ; Sirius Supra Brown RT ; Solamine Fast BrownRT ; Solar Brown GCR ; Solius Brown RT ; Solius Light Brown T ; Tertrodirect Fast Brown 10G .