2,7-bis(2-ethyl-2-oxidanyl-butanoyl)thioxanthen-9-one

Systemtic Name: 2,7-bis(2-ethyl-2-oxidanyl-butanoyl)thioxanthen-9-one Openeye Name: 2,7-bis(2-ethyl-2-hydroxy-butanoyl)thioxanthen-9-one CAS Name: 2,7-bis(2-ethyl-2-hydroxy-1-oxobutyl)-9-thioxanthenone IUPAC Name: 2,7-bis(2-ethyl-2-hydroxybutanoyl)thioxanthen-9-one Traditional Name: 2,7-bis(2-ethyl-2-hydroxy-butanoyl)thioxanthen-9-one Formula: C25H28O5S MolecularWeight: 440.55182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)C1=CC2=C(C=C1)SC3=C(C2=O)C=C(C=C3)C(=O)C(CC)(CC)O)O

Isomeric SMILES

CCC(CC)(C(=O)C1=CC2=C(C=C1)SC3=C(C2=O)C=C(C=C3)C(=O)C(CC)(CC)O)O

InChI

InChI=1S/C25H28O5S/c1-5-24(29,6-2)22(27)15-9-11-19-17(13-15)21(26)18-14-16(10-12-20(18)31-19)23(28)25(30,7-3)8-4/h9-14,29-30H,5-8H2,1-4H3