sodium 4-(2-hydroxyethyl)-2-sulfo-benzene-3-ide-1-carboxylic acid

Systemtic Name: sodium 4-(2-hydroxyethyl)-2-sulfo-benzene-3-ide-1-carboxylic acid Openeye Name: sodium 4-(2-hydroxyethyl)-2-sulfo-benzene-3-ide-1-carboxylic acid CAS Name: sodium 4-(2-hydroxyethyl)-2-sulfo-1-benzene-3-idecarboxylic acid IUPAC Name: sodium 4-(2-hydroxyethyl)-2-sulfobenzene-3-ide-1-carboxylic acid Traditional Name: sodium 4-(2-hydroxyethyl)-2-sulfo-benzene-3-ide-1-carboxylic acid Formula: C9H9NaO6S MolecularWeight: 268.21893

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C([C-]=C1CCO)S(=O)(=O)O)C(=O)O.[Na+]

Isomeric SMILES

C1=CC(=C([C-]=C1CCO)S(=O)(=O)O)C(=O)O.[Na+]

InChI

InChI=1S/C9H9O6S.Na/c10-4-3-6-1-2-7(9(11)12)8(5-6)16(13,14)15;/h1-2,10H,3-4H2,(H,11,12)(H,13,14,15);/q-1;+1