2-butanoyloxy-5-[4-propanoyl-3-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid

Systemtic Name: 2-butanoyloxy-5-[4-propanoyl-3-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid Openeye Name: 2-butanoyloxy-5-[4-propanoyl-3-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid CAS Name: 2-(1-oxobutoxy)-5-[4-(1-oxopropyl)-3-(trioxidanylthio)phenyl]benzenesulfonic acid IUPAC Name: 2-butanoyloxy-5-[4-propanoyl-3-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid Traditional Name: 2-butyryloxy-5-[4-propionyl-3-(trioxidanylthio)phenyl]besylic acid Formula: C19H20O9S2 MolecularWeight: 456.4867

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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)SOOO)S(=O)(=O)O

Isomeric SMILES

CCCC(=O)OC1=C(C=C(C=C1)C2=CC(=C(C=C2)C(=O)CC)SOOO)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)