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| CAS No.: | 85391-39-5 |
|---|---|
| Name: | dipotassium 5-bromo-2-[9-chloro-3-(sulphonatooxy)naphtho[1,2-b]thien-2-yl]-1H-indol-3-yl sulphate |
| Molecular Structure: | |
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| Formula: | C20H9BrClK2NO8S3 |
| Molecular Weight: | 681.04 |
| Synonyms: | 1H-Indol-3-ol,5-bromo-2-[9-chloro-3-(sulfooxy)naphtho[1,2-b]thien-2-yl]-, hydrogen sulfate(ester), dipotassium salt (9CI);Indol-3-ol,5-bromo-2-(9-chloro-3-hydroxynaphtho[1,2-b]thien-2-yl)-, bis(hydrogen sulfate)dipotassium salt (7CI);Dipotassium 5-bromo-2-[9-chloro-3-(sulphonatooxy)naphtho[1,2-b]thien-2-yl]-1H-indol-3-yl sulphate; |
| EINECS: | 286-793-6 |
| PSA: | 193.65000 |
| LogP: | 7.45830 |
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Specification
The 1H-Indol-3-ol,5-bromo-2-[9-chloro-3-(sulfooxy)naphtho[1,2-b]thien-2-yl]-, 3-(hydrogensulfate), potassium salt (1:2), with the CAS registry number 85391-39-5, is also known as H-Indol-3-ol,5-bromo-2-[9-chloro-3-(sulfooxy)naphtho[1,2-b]thien-2-yl]-, hydrogen sulfate(ester), dipotassium salt (9CI). Its EINECS number is 286-793-6. This chemical's molecular formula is C20H9BrClK2NO8S3 and molecular weight is 681.04. What's more, its IUPAC name is dipotassium[5-bromo-2-(9-chloro-3-sulfonatooxybenzo[g][1]benzothiol-2-yl)-1H-indol-3-yl] sulfate.
Physical properties of 1H-Indol-3-ol,5-bromo-2-[9-chloro-3-(sulfooxy)naphtho[1,2-b]thien-2-yl]-, 3-(hydrogensulfate), potassium salt (1:2) are: (1)#H bond acceptors: 9; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 193.65 Å2.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C(=C1)Cl)C3=C(C=C2)C(=C(S3)C4=C(C5=C(N4)C=CC(=C5)Br)OS(=O)(=O)
[O-])OS(=O)(=O)[O-].[K+].[K+]
(2)InChI: InChI=1S/C20H11BrClNO8S3.2K/c21-10-5-7-14-12(8-10)17(30-33(24,25)26)16(23-14)20-18(31-34(27,28)29)11-6-4-9-2-1-3-13(22)15(9)19(11)32-20;;/h1-8,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2
(3)InChIKey: SFUBJXMYKCHUTF-UHFFFAOYSA-L