CAS No.6459-69-4,disodium 3,3'-[cyclohexylidenebis[(2-methoxy-4,1-phenylene)azo]]bis(4,6-dihydroxynaphthalene-2-sulphonate) Suppliers

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Molecular Structure:
CAS No.:	6459-69-4
Name:	disodium 3,3'-[cyclohexylidenebis[(2-methoxy-4,1-phenylene)azo]]bis(4,6-dihydroxynaphthalene-2-sulphonate)

Formula:	C₄₀H₃₄N₄Na₂O₁₂S₂
Molecular Weight:	872.8271
Synonyms:	2-Naphthalenesulfonicacid,3,3'-[cyclohexylidenebis[(2-methoxy-4,1-phenylene)azo]]bis[4,6-dihydroxy-,disodium salt (9CI);Acid red 134 (C.I. 24810);
EINECS:	229-267-3
PSA:	279.98000
LogP:	10.88340

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Specification

The 2-Naphthalenesulfonicacid, 3, 3'-[cyclohexylidenebis[(2-methoxy-4, 1-phenylene)-2, 1-diazenediyl]]bis[4, 6-dihydroxy-, sodium salt (1:2), with the CAS registry number 6459-69-4, is also known as Acid red 134 (C.I. 24810). It belongs to the product category of Organics. Its EINECS registry number is 229-267-3. This chemical's molecular formula is C₄₀H₃₄N₄Na₂O₁₂S₂ and molecular weight is 872.8271. What's more, its IUPAC name is Disodium 3-[2-[4-[1-[4-[2-(1, 7-dioxo-3-sulfonatonaphthalen-2-yl)hydrazinyl]-3-methoxyphenyl]cyclohexyl]-2-methoxyphenyl]hydrazinyl]-4, 6-dioxonaphthalene-2-sulfonate.

Physical properties about 2-Naphthalenesulfonicacid, 3, 3'-[cyclohexylidenebis[(2-methoxy-4, 1-phenylene)-2, 1-diazenediyl]]bis[4, 6-dihydroxy-, sodium salt (1:2) are: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -1.77; (4)ACD/LogD (pH 7.4): -1.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 16; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 225.2 Å².

You can still convert the following datas into molecular structure:
(1) SMILES: [Na+].[Na+].[O-]S(=O)(=O)C=2\C=C/1\C=C/C(=O)\C=C\1C(=O)C=2NNc3ccc(cc3OC)C7(c6cc(OC)c(NNC\5=C(\C=C/4\C=C/C(=O)\C=C\4C/5=O)S([O-])(=O)=O)cc6)CCCCC7
(2) InChI: InChI=1/C40H36N4O12S2.2Na/c1-55-32-18-24(8-12-30(32)41-43-36-34(57(49,50)51)16-22-6-10-26(45)20-28(22)38(36)47)40(14-4-3-5-15-40)25-9-13-31(33(19-25)56-2)42-44-37-35(58(52,53)54)17-23-7-11-27(46)21-29(23)39(37)48;;/h6-13,16-21,41-44H,3-5,14-15H2,1-2H3,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2
(3) InChIKey: NYUXCXDKJIEOLL-NUQVWONBAS