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24019-46-3
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Basic Information
CAS No.: 24019-46-3
Name: sodium bis(2-hydroxyethyl) 5-sulphonatoisophthalate
Molecular Structure:
Molecular Structure of 24019-46-3 (sodium bis(2-hydroxyethyl) 5-sulphonatoisophthalate)
Formula: C12H13NaO9S
Molecular Weight: 356.281
Synonyms: Isophthalic acid, 5-sulfo-, 1,3-bis(2-hydroxyethyl) ester, monosodium salt(8CI);1,3-Benzenedicarboxylicacid, 5-sulfo-, 1,3-bis(2-hydroxyethyl) ester, monosodium salt (9CI);DEIS;ES 740;Sodium 3,5-bis(2-hydroxyethoxycarbonyl)benzenesulfonate;Sodiumbis(2-hydroxyethyl) 5-sulfoisophthalate;Ethylene glycol, 5-sulfoisophthalate (2:1), monosodium salt (8CI);Bis(2-hydroxyethyl) 5-sulfoisophthalate sodium salt;Bis(ethylene glycol) 5-sodiosulfoisophthalate;
EINECS: 245-987-0
PSA: 158.64000
LogP: -0.03030
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Specification

The 1,3-Benzenedicarboxylicacid, 5-sulfo-, 1,3-bis(2-hydroxyethyl) ester, sodium salt (1:1) is an organic compound with the formula C12H13NaO9S. The IUPAC name of this chemical is sodium 3,5-bis(2-hydroxyethoxycarbonyl)benzenesulfonate. With the CAS registry number 24019-46-3, it is also named as 5-Sulfoisophthalic acid, bis(2-hydroxyethyl) ester, sodium salt.

Physical properties about 1,3-Benzenedicarboxylicacid, 5-sulfo-, 1,3-bis(2-hydroxyethyl) ester, sodium salt (1:1) are: (1)ACD/LogP: -0.65; (2)ACD/LogD (pH 5.5): -4.15; (3)ACD/LogD (pH 7.4): -4.15; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 9; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 11; (11)Polar Surface Area: 133.81 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=S([O-])(=O)c1cc(cc(C(=O)OCCO)c1)C(=O)OCCO
(2)InChI: InChI=1/C12H14O9S.Na/c13-1-3-20-11(15)8-5-9(12(16)21-4-2-14)7-10(6-8)22(17,18)19;/h5-7,13-14H,1-4H2,(H,17,18,19);/q;+1/p-1
(3)InChIKey: YZLGIRGCZODDCE-REWHXWOFAH
(4)Std. InChI: InChI=1S/C12H14O9S.Na/c13-1-3-20-11(15)8-5-9(12(16)21-4-2-14)7-10(6-8)22(17,18)19;/h5-7,13-14H,1-4H2,(H,17,18,19);/q;+1/p-1
(5)Std. InChIKey: YZLGIRGCZODDCE-UHFFFAOYSA-M