sodium 2-(1-sulfopropoxy)benzene-1,3-dicarboxylic acid

Systemtic Name: sodium 2-(1-sulfopropoxy)benzene-1,3-dicarboxylic acid Openeye Name: sodium 2-(1-sulfopropoxy)benzene-1,3-dicarboxylic acid CAS Name: sodium 2-(1-sulfopropoxy)benzene-1,3-dicarboxylic acid IUPAC Name: sodium 2-(1-sulfopropoxy)benzene-1,3-dicarboxylic acid Traditional Name: sodium 2-(1-sulfopropoxy)isophthalic acid Formula: C11H12NaO8S+ MolecularWeight: 327.26295

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OC1=C(C=CC=C1C(=O)O)C(=O)O)S(=O)(=O)O.[Na+]

Isomeric SMILES

CCC(OC1=C(C=CC=C1C(=O)O)C(=O)O)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C11H12O8S.Na/c1-2-8(20(16,17)18)19-9-6(10(12)13)4-3-5-7(9)11(14)15;/h3-5,8H,2H2,1H3,(H,12,13)(H,14,15)(H,16,17,18);/q;+1