disodium 2-methoxy-5-(4-methoxy-2-oxidanyl-phenyl)carbonyl-4-oxidanyl-benzenesulfonate

Systemtic Name: disodium 2-methoxy-5-(4-methoxy-2-oxidanyl-phenyl)carbonyl-4-oxidanyl-benzenesulfonate Openeye Name: disodium 4-hydroxy-5-(2-hydroxy-4-methoxy-benzoyl)-2-methoxy-benzenesulfonate CAS Name: disodium 4-hydroxy-5-[(2-hydroxy-4-methoxyphenyl)-oxomethyl]-2-methoxybenzenesulfonate IUPAC Name: disodium 4-hydroxy-5-(2-hydroxy-4-methoxybenzoyl)-2-methoxybenzenesulfonate Traditional Name: disodium 4-hydroxy-5-(2-hydroxy-4-methoxy-benzoyl)-2-methoxy-besylate Formula: C15H13Na2O8S+ MolecularWeight: 399.30346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C2=CC(=C(C=C2O)OC)S(=O)(=O)[O-])O.[Na+].[Na+]

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)C2=CC(=C(C=C2O)OC)S(=O)(=O)[O-])O.[Na+].[Na+]

InChI

InChI=1S/C15H14O8S.2Na/c1-22-8-3-4-9(11(16)5-8)15(18)10-6-14(24(19,20)21)13(23-2)7-12(10)17;;/h3-7,16-17H,1-2H3,(H,19,20,21);;/q;2*+1/p-1