sodium; benzene-1,3-dicarboxylic acid; 2-(2-hydroxyethyloxy)ethanol

Systemtic Name: sodium; benzene-1,3-dicarboxylic acid; 2-(2-hydroxyethyloxy)ethanol Openeye Name: sodium; 2-(2-hydroxyethoxy)ethanol; isophthalic acid CAS Name: sodium; benzene-1,3-dicarboxylic acid; 2-(2-hydroxyethoxy)ethanol IUPAC Name: sodium; benzene-1,3-dicarboxylic acid; 2-(2-hydroxyethoxy)ethanol Traditional Name: sodium; 2-(2-hydroxyethoxy)ethanol; isophthalic acid Formula: C12H16NaO7+ MolecularWeight: 295.24101

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(COCCO)O.[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(COCCO)O.[Na+]

InChI

InChI=1S/C8H6O4.C4H10O3.Na/c9-7(10)5-2-1-3-6(4-5)8(11)12;5-1-3-7-4-2-6;/h1-4H,(H,9,10)(H,11,12);5-6H,1-4H2;/q;;+1