ethane-1,2-diol; 2-sulfobenzene-1,3-dicarboxylic acid; terephthalic acid

Systemtic Name: ethane-1,2-diol; 2-sulfobenzene-1,3-dicarboxylic acid; terephthalic acid Openeye Name: ethylene glycol; 2-sulfobenzene-1,3-dicarboxylic acid; terephthalic acid CAS Name: ethane-1,2-diol; 2-sulfobenzene-1,3-dicarboxylic acid; terephthalic acid IUPAC Name: ethane-1,2-diol; 2-sulfobenzene-1,3-dicarboxylic acid; terephthalic acid Traditional Name: ethylene glycol; 2-sulfoisophthalic acid; terephthalic acid Formula: C18H18O13S MolecularWeight: 474.39272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C(=O)O)S(=O)(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O.C(CO)O

Isomeric SMILES

C1=CC(=C(C(=C1)C(=O)O)S(=O)(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O.C(CO)O

InChI

InChI=1S/C8H6O7S.C8H6O4.C2H6O2/c9-7(10)4-2-1-3-5(8(11)12)6(4)16(13,14)15;9-7(10)5-1-2-6(4-3-5)8(11)12;3-1-2-4/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);1-4H,(H,9,10)(H,11,12);3-4H,1-2H2