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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OC1=CC(=CC(=C1)C(=O)O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCC(OC1=CC(=CC(=C1)C(=O)O)C(=O)O)S(=O)(=O)O

InChI

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