2-(2-ethyl-2-oxidanyl-butanoyl)thioxanthen-9-one

Systemtic Name: 2-(2-ethyl-2-oxidanyl-butanoyl)thioxanthen-9-one Openeye Name: 2-(2-ethyl-2-hydroxy-butanoyl)thioxanthen-9-one CAS Name: 2-(2-ethyl-2-hydroxy-1-oxobutyl)-9-thioxanthenone IUPAC Name: 2-(2-ethyl-2-hydroxybutanoyl)thioxanthen-9-one Traditional Name: 2-(2-ethyl-2-hydroxy-butanoyl)thioxanthen-9-one Formula: C19H18O3S MolecularWeight: 326.40942

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C2=O)O

Isomeric SMILES

CCC(CC)(C(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C2=O)O

InChI

InChI=1S/C19H18O3S/c1-3-19(22,4-2)18(21)12-9-10-16-14(11-12)17(20)13-7-5-6-8-15(13)23-16/h5-11,22H,3-4H2,1-2H3