4-oxidanyl-5-oxidanylidene-cyclohepta-1,3,6-triene-1-sulfonic acid; sodium

Systemtic Name: 4-oxidanyl-5-oxidanylidene-cyclohepta-1,3,6-triene-1-sulfonic acid; sodium Openeye Name: 4-hydroxy-5-oxo-cyclohepta-1,3,6-triene-1-sulfonic acid; sodium CAS Name: 4-hydroxy-5-oxo-1-cyclohepta-1,3,6-trienesulfonic acid; sodium IUPAC Name: 4-hydroxy-5-oxocyclohepta-1,3,6-triene-1-sulfonic acid; sodium Traditional Name: 4-hydroxy-5-keto-cyclohepta-1,3,6-triene-1-sulfonic acid; sodium Formula: C7H6NaO5S MolecularWeight: 225.17431

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CC=C1S(=O)(=O)O)O.[Na]

Isomeric SMILES

C1=CC(=O)C(=CC=C1S(=O)(=O)O)O.[Na]

InChI

InChI=1S/C7H6O5S.Na/c8-6-3-1-5(13(10,11)12)2-4-7(6)9;/h1-4H,(H,8,9)(H,10,11,12);