sodium 5-methoxy-3-oxidanyl-2-(phenylcarbonyl)benzenesulfonate

Systemtic Name: sodium 5-methoxy-3-oxidanyl-2-(phenylcarbonyl)benzenesulfonate Openeye Name: sodium 2-benzoyl-3-hydroxy-5-methoxy-benzenesulfonate CAS Name: sodium 2-benzoyl-3-hydroxy-5-methoxybenzenesulfonate IUPAC Name: sodium 2-benzoyl-3-hydroxy-5-methoxybenzenesulfonate Traditional Name: sodium 2-benzoyl-3-hydroxy-5-methoxy-besylate Formula: C14H11NaO6S MolecularWeight: 330.28831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)S(=O)(=O)[O-])C(=O)C2=CC=CC=C2)O.[Na+]

Isomeric SMILES

COC1=CC(=C(C(=C1)S(=O)(=O)[O-])C(=O)C2=CC=CC=C2)O.[Na+]

InChI

InChI=1S/C14H12O6S.Na/c1-20-10-7-11(15)13(12(8-10)21(17,18)19)14(16)9-5-3-2-4-6-9;/h2-8,15H,1H3,(H,17,18,19);/q;+1/p-1