bicyclo[4.1.0]hepta-1,3,5-trien-7-one; 1-oxidanyl-6-propoxysulfonyl-hexane-1-sulfonoperoxoic acid

Systemtic Name: bicyclo[4.1.0]hepta-1,3,5-trien-7-one; 1-oxidanyl-6-propoxysulfonyl-hexane-1-sulfonoperoxoic acid Openeye Name: bicyclo[4.1.0]hepta-1,3,5-trien-7-one; 1-hydroxy-6-propoxysulfonyl-hexane-1-sulfonoperoxoic acid CAS Name: 7-bicyclo[4.1.0]hepta-1,3,5-trienone; 1-hydroxy-6-propoxysulfonyl-1-hexanesulfonoperoxoic acid IUPAC Name: bicyclo[4.1.0]hepta-1,3,5-trien-7-one; 1-hydroxy-6-propoxysulfonylhexane-1-sulfonoperoxoic acid Traditional Name: bicyclo[4.1.0]hepta-1,3,5-trien-7-one; 1-hydroxy-6-propoxysulfonyl-hexane-1-sulfonoperoxoic acid Formula: C16H24O9S2 MolecularWeight: 424.48636

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Descriptors Computed from Structure

Canonical SMILES:

CCCOS(=O)(=O)CCCCCC(O)S(=O)(=O)OO.C1=CC=C2C(=C1)C2=O

Isomeric SMILES

CCCOS(=O)(=O)CCCCCC(O)S(=O)(=O)OO.C1=CC=C2C(=C1)C2=O

InChI

InChI=1S/C9H20O8S2.C7H4O/c1-2-7-16-18(12,13)8-5-3-4-6-9(10)19(14,15)17-11;8-7-5-3-1-2-4-6(5)7/h9-11H,2-8H2,1H3;1-4H