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Acid Black 26 (6262-07-3)

Identification
Name:Acid Black 26
Synonyms:Benzenesulfonic acid, 2-(phenylamino)-5-((4-((2-hydroxy-6-sulfonaphth-1-yl)azo)naphth-1-yl)azo)-, disodium salt;Disodium 6-hydroxy-5-((4-((4-(phenylamino)-3-sulphonatophenyl)azo)naphthyl)azo)naphthalene-2-sulphonate;disodium (5Z)-5-[[4-(4-anilino-3-sulfonato-phenyl)diazenylnaphthalen-1-yl]hydrazinylidene]-6-oxo-naphthalene-2-sulfonate;2-Naphthalenesulfonic acid,6-hydroxy-5-[[4-[[4-(phenylamino)-3- sulfophenyl]azo]-1-naphthalenyl]azo]-,disodium salt;Kayanol Milling Black VLG;Supranol Milling Black VLG;C.I. Acid Black 26;2-Naphthalenesulfonic acid, 6-hydroxy-5-((4-((4-(phenylamino)-3-sulfophenyl)azo)-1-naphthalenyl)azo)-, disodium salt;
CAS:6262-07-3
EINECS: 228-412-8
Molecular Formula: C32H23N5O7S2.2Na
Molecular Weight: 697.64
InChI: InChI=1/C32H23N5O7S2.2Na/c38-30-17-10-20-18-23(45(39,40)41)12-13-24(20)32(30)37-36-28-16-15-27(25-8-4-5-9-26(25)28)35-34-22-11-14-29(31(19-22)46(42,43)44)33-21-6-2-1-3-7-21;;/h1-19,33,38H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b35-34+,37-36+;;
Molecular Structure: (C32H23N5O7S2.2Na) Benzenesulfonic acid, 2-(phenylamino)-5-((4-((2-hydroxy-6-sulfonaphth-1-yl)azo)naphth-1-yl)azo)-, di...
Properties
Specification:

The Acid Black 26, with the CAS registry number 6262-07-3 and EINECS registry number 228-412-8, has the systematic name of disodium 5-[[4-(4-anilino-3-sulfonato-phenyl)azo-1-naphthyl]azo]-6-hydroxy-naphthalene-2-sulfonate. It belongs to the product category of Organics. And the molecular formula of the chemical is C32H23N5O7S2.2Na.

The characteristics of Acid Black 26 are as followings: (1)H-Bond Donor 2; (2)H-Bond Acceptor 12; (3)Rotatable Bond Count 6; (4)Tautomer Count 19; (5)Exact Mass 697.067779; (6)MonoIsotopic Mass 697.067779; (7)Topological Polar Surface Area 209; (8)Heavy Atom Count 48; (9)Formal Charge 0; (10)Complexity 1370; (11)Isotope Atom Count 0; (12)Defined Atom StereoCenter Count 0; (13)Undefined Atom StereoCenter Count 0; (14)Defined Bond StereoCenter Count 1; (15)Undefined Bond StereoCenter Count 0; (16)Covalently-Bonded Unit Count 3. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Na+].[Na+].[O-]S(=O)(=O)c2cc(ccc2Nc1ccccc1)N=Nc6ccc(N=Nc3c4ccc(cc4ccc3O)S([O-])(=O)=O)c5ccccc56
(2)InChI: InChI=1/C32H23N5O7S2.2Na/c38-30-17-10-20-18-23(45(39,40)41)12-13-24(20)32(30)37-36-28-16-15-27(25-8-4-5-9-26(25)28)35-34-22-11-14-29(31(19-22)46(42,43)44)33-21-6-2-1-3-7-21;;/h1-19,33,38H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2
(3)InChIKey: WXUZMLVSQROLEX-NUQVWONBAY

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