2-butanoyloxy-5-(3-oxidanidylperoxysulfanyl-4-propanoyl-phenyl)benzenesulfonate

Systemtic Name: 2-butanoyloxy-5-(3-oxidanidylperoxysulfanyl-4-propanoyl-phenyl)benzenesulfonate Openeye Name: 2-butanoyloxy-5-(3-oxidoperoxysulfanyl-4-propanoyl-phenyl)benzenesulfonate CAS Name: 5-[3-(oxidodioxythio)-4-(1-oxopropyl)phenyl]-2-(1-oxobutoxy)benzenesulfonate IUPAC Name: 2-butanoyloxy-5-(3-oxidoperoxysulfanyl-4-propanoylphenyl)benzenesulfonate Traditional Name: 2-butyryloxy-5-[3-(oxidoperoxythio)-4-propionyl-phenyl]besylate Formula: C19H18O9S2-2 MolecularWeight: 454.47082

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C=C(C=C1)C2=CC(=C(C=C2)C(=O)CC)SOO[O-])S(=O)(=O)[O-]

Isomeric SMILES

CCCC(=O)OC1=C(C=C(C=C1)C2=CC(=C(C=C2)C(=O)CC)SOO[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C19H20O9S2/c1-3-5-19(21)26-16-9-7-13(11-18(16)30(23,24)25)12-6-8-14(15(20)4-2)17(10-12)29-28-27-22/h6-11,22H,3-5H2,1-2H3,(H,23,24,25)/p-2