(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C26H22O6S MolecularWeight: 462.51428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C

InChI

InChI=1S/C26H22O6S/c1-14-11-15(2)24(17(4)27)16(3)21(14)13-32-26(29)18-9-10-20-23(12-18)33(30,31)22-8-6-5-7-19(22)25(20)28/h5-12H,13H2,1-4H3