Basic Information | Post buying leads | Suppliers |
The Acid Red 111, with the CAS registry number 6358-57-2, is also known as C.I. 23266. It belongs to the product category of Organics. Its EINECS number is 228-779-4. This chemical's molecular formula is C37H28N4Na2O10S3 and molecular weight is 830.81. What's more, its systematic name is Disodium 3-({2,2'-dimethyl-4'-[(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]-4-biphenylyl}diazenyl)-4-hydroxy-2,7-naphthalenedisulfonate.
Physical properties of Acid Red 111 are: (1)#H bond acceptors: 14; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 11; (4)Polar Surface Area: 252.58 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].O=S(=O)(Oc1ccc(cc1)N=Nc2cc(C)c(cc2)c5ccc(N=Nc4c(cc3cc(ccc3c4O)S([O-])(=O)=O)S([O-])(=O)=O)cc5C)c6ccc(C)cc6
(2)Std. InChI: InChI=1S/C37H30N4O10S3.2Na/c1-22-4-12-30(13-5-22)54(49,50)51-29-10-6-26(7-11-29)38-39-27-8-15-32(23(2)18-27)33-16-9-28(19-24(33)3)40-41-36-35(53(46,47)48)21-25-20-31(52(43,44)45)14-17-34(25)37(36)42;;/h4-21,42H,1-3H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2
(3)Std. InChIKey: YFSRRLXAGNGNNQ-UHFFFAOYSA-L