sodium 3,5-bis(ethoxycarbonyl)benzenesulfonate

Systemtic Name: sodium 3,5-bis(ethoxycarbonyl)benzenesulfonate Openeye Name: sodium 3,5-bis(ethoxycarbonyl)benzenesulfonate CAS Name: sodium 3,5-bis(ethoxycarbonyl)benzenesulfonate IUPAC Name: sodium 3,5-bis(ethoxycarbonyl)benzenesulfonate Traditional Name: sodium 3,5-dicarbethoxybesylate Formula: C12H13NaO7S MolecularWeight: 324.28219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O7S.Na/c1-3-18-11(13)8-5-9(12(14)19-4-2)7-10(6-8)20(15,16)17;/h5-7H,3-4H2,1-2H3,(H,15,16,17);/q;+1/p-1