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sodium; benzene-1,3-dicarboxylic acid; 2-sulfobenzene-5-ide-1,3-dicarboxylic acid

sodium; benzene-1,3-dicarboxylic acid; 2-sulfobenzene-5-ide-1,3-dicarboxylic acid

Systemtic Name:sodium; benzene-1,3-dicarboxylic acid; 2-sulfobenzene-5-ide-1,3-dicarboxylic acid
Openeye Name:sodium; isophthalic acid; 2-sulfobenzene-5-ide-1,3-dicarboxylic acid
CAS Name:sodium; benzene-1,3-dicarboxylic acid; 2-sulfobenzene-5-ide-1,3-dicarboxylic acid
IUPAC Name:sodium; benzene-1,3-dicarboxylic acid; 2-sulfobenzene-5-ide-1,3-dicarboxylic acid
Traditional Name:sodium; isophthalic acid; 2-sulfobenzene-5-ide-1,3-dicarboxylic acid
Formula: C16H11NaO11S
MolecularWeight: 434.30671
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C8H5O7S.C8H6O4.Na/c9-7(10)4-2-1-3-5(8(11)12)6(4)16(13,14)15;9-7(10)5-2-1-3-6(4-5)8(11)12;/h2-3H,(H,9,10)(H,11,12)(H,13,14,15);1-4H,(H,9,10)(H,11,12);/q-1;;+1


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