sodium (3,4-dimethoxyphenyl)-oxidanyl-methanesulfonate

Systemtic Name: sodium (3,4-dimethoxyphenyl)-oxidanyl-methanesulfonate Openeye Name: sodium (3,4-dimethoxyphenyl)-hydroxy-methanesulfonate CAS Name: sodium (3,4-dimethoxyphenyl)-hydroxymethanesulfonate IUPAC Name: sodium (3,4-dimethoxyphenyl)-hydroxymethanesulfonate Traditional Name: sodium (3,4-dimethoxyphenyl)-hydroxy-methanesulfonate Formula: C9H11NaO6S MolecularWeight: 270.23481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O6S.Na/c1-14-7-4-3-6(5-8(7)15-2)9(10)16(11,12)13;/h3-5,9-10H,1-2H3,(H,11,12,13);/q;+1/p-1