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57665-63-1

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Basic Information
CAS No.: 57665-63-1
Name: 3,4,5-TRIMETHOXYBENZENESULFONIC ACID SODIUM SALT
Molecular Structure:
Molecular Structure of 57665-63-1 (3,4,5-TRIMETHOXYBENZENESULFONIC ACID SODIUM SALT)
Formula: C9H11NaO6S
Molecular Weight: 270.23
Synonyms: Benzenesulfonicacid, 3,4,5-trimethoxy-, sodium salt (9CI);Sodium 3,4,5-trimethoxybenzenesulfonate;
PSA: 93.27000
LogP: 1.69730
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Specification

The CAS register number of Benzenesulfonic acid,3,4,5-trimethoxy-, sodium salt (1:1) is 57665-63-1. It also can be called as Sodium 3,4,5-trimethoxybenzenesulfonate and the systematic name about this chemical is (3,4,5-trimethoxyphenyl)sulfonyloxysodium. The molecular formula about this chemical is C9H11NaO6S and the molecular weight is 270.23.

Physical properties about Benzenesulfonic acid,3,4,5-trimethoxy-, sodium salt (1:1) are: (1)#H bond acceptors: 6; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 79.44Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(cc(c1OC)OC)S(=O)(=O)O[Na]
(2)InChI: InChI=1/C9H12O6S.Na/c1-13-7-4-6(16(10,11)12)5-8(14-2)9(7)15-3;/h4-5H,1-3H3,(H,10,11,12);/q;+1/p-1/rC9H11NaO6S/c1-13-7-4-6(17(11,12)16-10)5-8(14-2)9(7)15-3/h4-5H,1-3H3
(3)InChIKey: ZAISGJBPFOSIJF-LPIHMHIIAI
(4)Std. InChI: InChI=1S/C9H12O6S.Na/c1-13-7-4-6(16(10,11)12)5-8(14-2)9(7)15-3;/h4-5H,1-3H3,(H,10,11,12);/q;+1/p-1
(5)Std. InChIKey: ZAISGJBPFOSIJF-UHFFFAOYSA-M