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

Systemtic Name: sodium; ethane-1,1-diol; 2-sulfobenzene-1,3-dicarboxylate Openeye Name: sodium; ethane-1,1-diol; 2-sulfobenzene-1,3-dicarboxylate CAS Name: sodium; ethane-1,1-diol; 2-sulfobenzene-1,3-dicarboxylate IUPAC Name: sodium; ethane-1,1-diol; 2-sulfobenzene-1,3-dicarboxylate Traditional Name: sodium; ethane-1,1-diol; 2-sulfoisophthalate Formula: C10H9NaO9S-2 MolecularWeight: 328.22783

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-]C(O)O.C1=CC(=C(C(=C1)C(=O)[O-])S(=O)(=O)O)C(=O)[O-].[Na+]

Isomeric SMILES

[CH2-]C(O)O.C1=CC(=C(C(=C1)C(=O)[O-])S(=O)(=O)O)C(=O)[O-].[Na+]

InChI

InChI=1S/C8H6O7S.C2H5O2.Na/c9-7(10)4-2-1-3-5(8(11)12)6(4)16(13,14)15;1-2(3)4;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);2-4H,1H2;/q;-1;+1/p-2