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

Systemtic Name: sodium [3,4-bis(oxidanyl)phenyl]methanesulfonate Openeye Name: sodium (3,4-dihydroxyphenyl)methanesulfonate CAS Name: sodium (3,4-dihydroxyphenyl)methanesulfonate IUPAC Name: sodium (3,4-dihydroxyphenyl)methanesulfonate Traditional Name: sodium (3,4-dihydroxyphenyl)methanesulfonate Formula: C7H7NaO5S MolecularWeight: 226.18225

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CS(=O)(=O)[O-])O)O.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1CS(=O)(=O)[O-])O)O.[Na+]

InChI

InChI=1S/C7H8O5S.Na/c8-6-2-1-5(3-7(6)9)4-13(10,11)12;/h1-3,8-9H,4H2,(H,10,11,12);/q;+1/p-1