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

Systemtic Name: 5-(3-sulfopropoxy)benzene-1,3-dicarboxylic acid Openeye Name: 5-(3-sulfopropoxy)benzene-1,3-dicarboxylic acid CAS Name: 5-(3-sulfopropoxy)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(3-sulfopropoxy)benzene-1,3-dicarboxylic acid Traditional Name: 5-(3-sulfopropoxy)isophthalic acid Formula: C11H12O8S MolecularWeight: 304.27318

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)O)OCCCS(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1C(=O)O)OCCCS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C11H12O8S/c12-10(13)7-4-8(11(14)15)6-9(5-7)19-2-1-3-20(16,17)18/h4-6H,1-3H2,(H,12,13)(H,14,15)(H,16,17,18)