sodium 2-propoxy-4-sulfo-benzene-5-ide-1,3-dicarboxylic acid

Systemtic Name: sodium 2-propoxy-4-sulfo-benzene-5-ide-1,3-dicarboxylic acid Openeye Name: sodium 2-propoxy-4-sulfo-benzene-5-ide-1,3-dicarboxylic acid CAS Name: sodium 2-propoxy-4-sulfobenzene-5-ide-1,3-dicarboxylic acid IUPAC Name: sodium 2-propoxy-4-sulfobenzene-5-ide-1,3-dicarboxylic acid Traditional Name: sodium 2-propoxy-4-sulfo-benzene-5-ide-1,3-dicarboxylic acid Formula: C11H11NaO8S MolecularWeight: 326.25501

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=[C-]C(=C1C(=O)O)S(=O)(=O)O)C(=O)O.[Na+]

Isomeric SMILES

CCCOC1=C(C=[C-]C(=C1C(=O)O)S(=O)(=O)O)C(=O)O.[Na+]

InChI

InChI=1S/C11H11O8S.Na/c1-2-5-19-9-6(10(12)13)3-4-7(20(16,17)18)8(9)11(14)15;/h3H,2,5H2,1H3,(H,12,13)(H,14,15)(H,16,17,18);/q-1;+1