InChI: | InChI=1/C12H8Cl2O8S3.2Na/c13-9-3-1-7(5-11(9)24(17,18)19)23(15,16)8-2-4-10(14)12(6-8)25(20,21)22;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2 |
Specification: |
The Disodium 3,3'-sulfonylbis(6-chlorobenzenesulfonate) is an organic compound with the formula C12H6Cl2Na2O8S3. The systematic name of this chemical is disodium 3,3'-sulfonylbis(6-chlorobenzenesulfonate). With the CAS registry number 51698-33-0, it is also named as Benzenesulfonic acid, 3,3'-sulfonylbis[6-chloro-, sodium salt (1:2).
Physical properties about Disodium 3,3'-sulfonylbis(6-chlorobenzenesulfonate) are: (1)#H bond acceptors: 8; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 173.68 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].O=S([O-])(=O)c1cc(ccc1Cl)S(=O)(=O)c2ccc(Cl)c(c2)S([O-])(=O)=O
(2)InChI: InChI=1/C12H8Cl2O8S3.2Na/c13-9-3-1-7(5-11(9)24(17,18)19)23(15,16)8-2-4-10(14)12(6-8)25(20,21)22;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2
(3)InChIKey: KKEBUZUONXHUNE-NUQVWONBAF
(4)Std. InChI: InChI=1S/C12H8Cl2O8S3.2Na/c13-9-3-1-7(5-11(9)24(17,18)19)23(15,16)8-2-4-10(14)12(6-8)25(20,21)22;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2
(5)Std. InChIKey: KKEBUZUONXHUNE-UHFFFAOYSA-L
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