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The molecular formula is C12H13NaO9S.
The molecular weight is 356.28 g/mol.
Some synonyms include UO915ZWT2N and Monosodium 1,3-bis(2-hydroxyethyl) 5-sulfoisophthalate.
The IUPAC name is sodium;3,5-bis(2-hydroxyethoxycarbonyl)benzenesulfonate.
The Canonical SMILES representation is C1=C(C=C(C=C1C(=O)OCCO)S(=O)(=O)[O-])C(=O)OCCO.[Na+]
The InChIKey is YZLGIRGCZODDCE-UHFFFAOYSA-M.
The Hydrogen Bond Donor Count is 2.
The Hydrogen Bond Acceptor Count is 9.
The Rotatable Bond Count is 9.
The Topological Polar Surface Area is 159.2.
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