Molecular Structure of Direct Red 75 tetrasodium salt (CAS NO.2829-43-8):
IUPAC Name: tetrasodium 6-imino-5-[2-[4-[[4-[2-(2-imino-8-oxo-6-sulfonatonaphthalen-1-yl)hydrazinyl]-3-sulfonatophenyl]carbamoylamino]-2-sulfonatophenyl]hydrazinyl]-4-oxonaphthalene-2-sulfonate
Molecular Formula: C33H22N8Na4O15S4
Molecular Weight: 990.79
CAS Registry Number: 2829-43-8
EINECS: 220-593-1
H bond acceptors: 23
H bond donors: 12
Freely Rotating Bonds: 14
Polar Surface Area: 445.39 Å2
InChI
InChI=1/C33H25N8O15S4.4Na/c34-21-5-1-15-9-19(57(45,46)47)13-25(42)29(15)31(21)40-38-23-7-3-17(11-27(23)59(51,52)53)36-33(44)37-18-4-8-24(28(12-18)60(54,55)56)39-41-32-22(35)6-2-16-10-20(58(48,49)50)14-26(43)30(16)32;;;;/h1-14,42-43H,34-35H2,(H2,36,37,44)(H,45,46,47)(H,51,52,53)(H,54,55,56);;;;/q-2;4*+1/p-3/b40-38+,41-39+;;;;
Smiles
S(c1c(\N=N\c2c3c(cc(S(=O)(=O)[O-])cc3ccc2N)O)ccc(NC(Nc2cc(S(=O)(=O)[O-])c(\N=N\c3c4c(cc(S(=O)(=O)[OH-2])cc4ccc3N)O)cc2)=O)c1)(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Direct Red 75 tetrasodium salt , with CAS number of 2829-43-8, can be called 2-naphthalenesulfonic acid, 5,5'-[carbonylbis[imino(2-sulfo-4,1-phenylene)-2,1-diazenediyl]]bis[6-amino-4-hydroxy-, sodium salt (1:4) ; Tetrasodium 6-amino-5-({4-[({4-[(2-amino-8-hydroxy-6-sulfonato-1-naphthyl)diazenyl]-3-sulfonatophenyl}carbamoyl)amino]-2-sulfonatophenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate ; Chlorazol fast pink BK ; Sirius Rose BB .
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