sodium 3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-1-phenyl-propane-1-sulfonic acid

Systemtic Name: sodium 3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-1-phenyl-propane-1-sulfonic acid Openeye Name: sodium 3-ethoxy-2-ethoxycarbonyl-3-oxo-1-phenyl-propane-1-sulfonic acid CAS Name: sodium 3-ethoxy-2-ethoxycarbonyl-3-oxo-1-phenyl-1-propanesulfonic acid IUPAC Name: sodium 3-ethoxy-2-ethoxycarbonyl-3-oxo-1-phenylpropane-1-sulfonic acid Traditional Name: sodium 2-carbethoxy-3-ethoxy-3-keto-1-phenyl-propane-1-sulfonic acid Formula: C14H18NaO7S+ MolecularWeight: 353.34329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O7S.Na/c1-3-20-13(15)11(14(16)21-4-2)12(22(17,18)19)10-8-6-5-7-9-10;/h5-9,11-12H,3-4H2,1-2H3,(H,17,18,19);/q;+1