2-propoxy-4-sulfo-benzene-1,3-dicarboxylic acid

Systemtic Name: 2-propoxy-4-sulfo-benzene-1,3-dicarboxylic acid Openeye Name: 2-propoxy-4-sulfo-benzene-1,3-dicarboxylic acid CAS Name: 2-propoxy-4-sulfobenzene-1,3-dicarboxylic acid IUPAC Name: 2-propoxy-4-sulfobenzene-1,3-dicarboxylic acid Traditional Name: 2-propoxy-4-sulfo-isophthalic acid Formula: C11H12O8S MolecularWeight: 304.27318

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1C(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCOC1=C(C=CC(=C1C(=O)O)S(=O)(=O)O)C(=O)O

InChI

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