InChI: | InChI=1/C13H13N3O4S.Na/c1-20-13-8-10(5-6-12(13)14)16-15-9-3-2-4-11(7-9)21(17,18)19;/h2-8H,14H2,1H3,(H,17,18,19);/q;+1/p-1/b16-15+; |
Specification: |
The 4-Amino-3-methoxyazobene-3'-sulfonic acid sodium salt, with the cas registry number of 6300-07-8, is also known as Benzenesulfonic acid, 3-[2-(4-amino-3-methoxyphenyl)diazenyl]-, sodium salt (1:1) and Sodium m-[(4-amino-3-methoxyphenyl)azo]benzenesulphonate. It belongs to the product categories of Intermediates of Dyes and Pigments. Its EINECS number is 228-581-8. This chemical's molecular formula is C13H12N3NaO4S and formula weight is 329.31. What's more, both its IUPAC name and systematic name are the same which is called Sodium 3-(4-amino-3-methoxy-phenyl)azobenzenesulfonate.
Physical properties about this chemical are: (1)#H bond acceptors: 7; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 125.55 Å2; (5)Density: 1.43 g/cm3; (6)Appearance: Orange moist matter.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].Nc1ccc(cc1OC)N=Nc2cccc(c2)S([O-])(=O)=O;
(2)InChI: InChI=1/C13H13N3O4S.Na/c1-20-13-8-10(5-6-12(13)14)16-15-9-3-2-4-11(7-9)21(17,18)19;/h2-8H,14H2,1H3,(H,17,18,19);/q;+1/p-1;
(3)InChIKey: CSVLGAQNGISLDW-REWHXWOFAI;
(4)Std. InChI: InChI=1S/C13H13N3O4S.Na/c1-20-13-8-10(5-6-12(13)14)16-15-9-3-2-4-11(7-9)21(17,18)19;/h2-8H,14H2,1H3,(H,17,18,19);/q;+1/p-1;
(5)Std. InChIKey: CSVLGAQNGISLDW-UHFFFAOYSA-M.
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