3-(1-oxidanylidenebutan-2-ylsulfanyl)benzenesulfonic acid

Systemtic Name: 3-(1-oxidanylidenebutan-2-ylsulfanyl)benzenesulfonic acid Openeye Name: 3-(1-formylpropylsulfanyl)benzenesulfonic acid CAS Name: 3-(1-oxobutan-2-ylthio)benzenesulfonic acid IUPAC Name: 3-(1-oxobutan-2-ylsulfanyl)benzenesulfonic acid Traditional Name: 3-(1-formylpropylthio)besylic acid Formula: C10H12O4S2 MolecularWeight: 260.32988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=O)SC1=CC(=CC=C1)S(=O)(=O)O

Isomeric SMILES

CCC(C=O)SC1=CC(=CC=C1)S(=O)(=O)O

InChI

InChI=1S/C10H12O4S2/c1-2-8(7-11)15-9-4-3-5-10(6-9)16(12,13)14/h3-8H,2H2,1H3,(H,12,13,14)