ethane-1,2-diol; 2-sulfobenzene-1,3-dicarboxylate

Systemtic Name: ethane-1,2-diol; 2-sulfobenzene-1,3-dicarboxylate Openeye Name: ethylene glycol; 2-sulfobenzene-1,3-dicarboxylate CAS Name: ethane-1,2-diol; 2-sulfobenzene-1,3-dicarboxylate IUPAC Name: ethane-1,2-diol; 2-sulfobenzene-1,3-dicarboxylate Traditional Name: ethylene glycol; 2-sulfoisophthalate Formula: C10H10O9S-2 MolecularWeight: 306.246

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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-].C(CO)O

Isomeric SMILES

C1=CC(=C(C(=C1)C(=O)[O-])S(=O)(=O)O)C(=O)[O-].C(CO)O

InChI

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