disodium; 5-sulfobenzene-1,3-dicarboxylic acid; terephthalate

Systemtic Name: disodium; 5-sulfobenzene-1,3-dicarboxylic acid; terephthalate Openeye Name: disodium; 5-sulfobenzene-1,3-dicarboxylic acid; terephthalate CAS Name: disodium; 5-sulfobenzene-1,3-dicarboxylic acid; terephthalate IUPAC Name: disodium; 5-sulfobenzene-1,3-dicarboxylic acid; terephthalate Traditional Name: disodium; 5-sulfoisophthalic acid; terephthalate Formula: C16H10Na2O11S MolecularWeight: 456.28854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].C1=C(C=C(C=C1C(=O)O)S(=O)(=O)O)C(=O)O.[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].C1=C(C=C(C=C1C(=O)O)S(=O)(=O)O)C(=O)O.[Na+].[Na+]

InChI

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