(3,3-dimethyl-2-oxidanylidene-butyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H18O6S MolecularWeight: 386.41832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C20H18O6S/c1-20(2,3)17(21)11-26-19(23)12-8-9-14-16(10-12)27(24,25)15-7-5-4-6-13(15)18(14)22/h4-10H,11H2,1-3H3