sodium 5-(1-sulfopropoxy)benzene-1,3-dicarboxylic acid

Systemtic Name: sodium 5-(1-sulfopropoxy)benzene-1,3-dicarboxylic acid Openeye Name: sodium 5-(1-sulfopropoxy)benzene-1,3-dicarboxylic acid CAS Name: sodium 5-(1-sulfopropoxy)benzene-1,3-dicarboxylic acid IUPAC Name: sodium 5-(1-sulfopropoxy)benzene-1,3-dicarboxylic acid Traditional Name: sodium 5-(1-sulfopropoxy)isophthalic acid Formula: C11H11NaO8S MolecularWeight: 326.25501

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-]CC(OC1=CC(=CC(=C1)C(=O)O)C(=O)O)S(=O)(=O)O.[Na+]

Isomeric SMILES

[CH2-]CC(OC1=CC(=CC(=C1)C(=O)O)C(=O)O)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C11H11O8S.Na/c1-2-9(20(16,17)18)19-8-4-6(10(12)13)3-7(5-8)11(14)15;/h3-5,9H,1-2H2,(H,12,13)(H,14,15)(H,16,17,18);/q-1;+1