sodium [3,4-bis(oxidanyl)phenyl]-oxidanyl-methanesulfonate

Systemtic Name: sodium [3,4-bis(oxidanyl)phenyl]-oxidanyl-methanesulfonate Openeye Name: sodium (3,4-dihydroxyphenyl)-hydroxy-methanesulfonate CAS Name: sodium (3,4-dihydroxyphenyl)-hydroxymethanesulfonate IUPAC Name: sodium (3,4-dihydroxyphenyl)-hydroxymethanesulfonate Traditional Name: sodium (3,4-dihydroxyphenyl)-hydroxy-methanesulfonate Formula: C7H7NaO6S MolecularWeight: 242.18165

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(O)S(=O)(=O)[O-])O)O.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1C(O)S(=O)(=O)[O-])O)O.[Na+]

InChI

InChI=1S/C7H8O6S.Na/c8-5-2-1-4(3-6(5)9)7(10)14(11,12)13;/h1-3,7-10H,(H,11,12,13);/q;+1/p-1