2,7-bis(2-methyl-2-oxidanyl-propanoyl)thioxanthen-9-one

Systemtic Name: 2,7-bis(2-methyl-2-oxidanyl-propanoyl)thioxanthen-9-one Openeye Name: 2,7-bis(2-hydroxy-2-methyl-propanoyl)thioxanthen-9-one CAS Name: 2,7-bis(2-hydroxy-2-methyl-1-oxopropyl)-9-thioxanthenone IUPAC Name: 2,7-bis(2-hydroxy-2-methylpropanoyl)thioxanthen-9-one Traditional Name: 2,7-bis(2-hydroxy-2-methyl-propanoyl)thioxanthen-9-one Formula: C21H20O5S MolecularWeight: 384.4455

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20O5S/c1-20(2,25)18(23)11-5-7-15-13(9-11)17(22)14-10-12(6-8-16(14)27-15)19(24)21(3,4)26/h5-10,25-26H,1-4H3