2-(2-methylsulfanylpropanoyl)-3-oxidanyl-inden-1-one

Systemtic Name: 2-(2-methylsulfanylpropanoyl)-3-oxidanyl-inden-1-one Openeye Name: 3-hydroxy-2-(2-methylsulfanylpropanoyl)inden-1-one CAS Name: 3-hydroxy-2-[2-(methylthio)-1-oxopropyl]-1-indenone IUPAC Name: 3-hydroxy-2-(2-methylsulfanylpropanoyl)inden-1-one Traditional Name: 3-hydroxy-2-[2-(methylthio)propanoyl]inden-1-one Formula: C13H12O3S MolecularWeight: 248.29758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(C2=CC=CC=C2C1=O)O)SC

Isomeric SMILES

CC(C(=O)C1=C(C2=CC=CC=C2C1=O)O)SC

InChI

InChI=1S/C13H12O3S/c1-7(17-2)11(14)10-12(15)8-5-3-4-6-9(8)13(10)16/h3-7,15H,1-2H3