sodium 2-ethoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonate

Systemtic Name: sodium 2-ethoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonate Openeye Name: sodium 5-benzoyl-2-ethoxy-4-hydroxy-benzenesulfonate CAS Name: sodium 5-benzoyl-2-ethoxy-4-hydroxybenzenesulfonate IUPAC Name: sodium 5-benzoyl-2-ethoxy-4-hydroxybenzenesulfonate Traditional Name: sodium 5-benzoyl-2-ethoxy-4-hydroxy-besylate Formula: C15H13NaO6S MolecularWeight: 344.31489

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C15H14O6S.Na/c1-2-21-13-9-12(16)11(8-14(13)22(18,19)20)15(17)10-6-4-3-5-7-10;/h3-9,16H,2H2,1H3,(H,18,19,20);/q;+1/p-1