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97187-28-5

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Basic Information
CAS No.: 97187-28-5
Name: 1,2-Benzenedimethanesulfonic acid disodium salt
Molecular Structure:
Molecular Structure of 97187-28-5 (1,2-Benzenedimethanesulfonic acid disodium salt)
Formula: C8H8Na2O6S2
Molecular Weight: 310.25
Synonyms: 1,2-Benzenedimethanesulfonicacid, disodium salt (9CI);1,2-Benzenedimethanesulfonic acid disodium salt;o-Phenylenebis(methanesulfonic acid)disodium salt;
PSA: 131.16000
LogP: 1.93860
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Specification

The systematic name of 1,2-Benzenedimethanesulfonic acid disodium salt is disodium benzene-1,2-diyldimethanesulfonate. With the CAS registry number 97187-28-5, it is also named as o-Phenylenebis(methanesulfonic acid)disodium salt. In addition, its molecular formula is C8H8Na2O6S2 and its molecular weight is 310.25.

The other characteristics of 1,2-Benzenedimethanesulfonic acid disodium salt can be summarized as: (1)H bond acceptors: 6; (2)H bond donors: 2; (3)Freely Rotating Bonds: 4; (4)Polar Surface Area: 131.16 Å2; (5)Nominal mass: 310; (6)Average mass: 310.2551; (7)Monoisotopic mass: 309.955768.

People can use the following data to convert to the molecule structure.
(1)SMILES:[Na+].[Na+].O=S([O-])(=O)Cc1ccccc1CS([O-])(=O)=O
(2)InChI:InChI=1/C8H10O6S2.2Na/c9-15(10,11)5-7-3-1-2-4-8(7)6-16(12,13)14;;/h1-4H,5-6H2,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2
(3)InChIKey:SCZLTDILCDHJKK-NUQVWONBAP
(4)Std. InChI:InChI=1S/C8H10O6S2.2Na/c9-15(10,11)5-7-3-1-2-4-8(7)6-16(12,13)14;;/h1-4H,5-6H2,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2
(5)Std. InChIKey:SCZLTDILCDHJKK-UHFFFAOYSA-L