7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene-5-sulfonic acid

Systemtic Name: 7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene-5-sulfonic acid Openeye Name: 7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene-5-sulfonic acid CAS Name: 7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene-5-sulfonic acid IUPAC Name: 7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene-5-sulfonic acid Traditional Name: 7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene-5-sulfonic acid Formula: C6H4O4S MolecularWeight: 172.15856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(O2)C(=C1)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(O2)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C6H4O4S/c7-11(8,9)5-3-1-2-4-6(5)10-4/h1-3H,(H,7,8,9)