The Acid Blue 40, with the CAS registry number 6424-85-7, is also known as 2-Anthracenesulfonic acid, 4-((4-(acetylamino)phenyl)amino)-1-amino-9,10-dihydro-9,10-dioxo-, monosodium salt. It belongs to the product categories of Dyes and Pigments; Stains and Dyes. Its EINECS number is 229-190-5. This chemical's molecular formula is C22H17N3O6S·Na and molecular weight is 473.43. What's more, its systematic name is Sodium 4-[(4-acetamidophenyl)amino]-1-amino-9,10-dioxo-9,10-dihydro-2-anthracenesulfonate. This chemcial is used as an intermediate of dyes and pigments.
Physical properties of Acid Blue 40 are: (1)#H bond acceptors: 9; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 153.04 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)Nc1ccc(cc1)Nc4cc(c(N)c3c4C(=O)c2ccccc2C3=O)S(=O)(=O)O[Na]
(2)Std. InChI: InChI=1S/C22H17N3O6S.Na/c1-11(26)24-12-6-8-13(9-7-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-4-2-3-5-15(14)22(19)28;/h2-10,25H,23H2,1H3,(H,24,26)(H,29,30,31);/q;+1/p-1
(3)Std. InChIKey: NTOOJLUHUFUGQI-UHFFFAOYSA-M
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