2-(phenylcarbonyl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-sulfonic acid

Systemtic Name: 2-(phenylcarbonyl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-sulfonic acid Openeye Name: 2-benzoyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-sulfonic acid CAS Name: 2-benzoyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-sulfonic acid IUPAC Name: 2-benzoyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-sulfonic acid Traditional Name: 2-benzoyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-sulfonic acid Formula: C13H8O5S MolecularWeight: 276.26462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C3C(=C(C=C2)S(=O)(=O)O)O3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C3C(=C(C=C2)S(=O)(=O)O)O3

InChI

InChI=1S/C13H8O5S/c14-11(8-4-2-1-3-5-8)9-6-7-10(19(15,16)17)13-12(9)18-13/h1-7H,(H,15,16,17)