(2-tert-butyl-5-methyl-phenyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: (2-tert-butyl-5-methyl-phenyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (2-tert-butyl-5-methyl-phenyl) 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (2-tert-butyl-5-methylphenyl) ester IUPAC Name: (2-tert-butyl-5-methylphenyl) 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (2-tert-butyl-5-methyl-phenyl) ester Formula: C25H22O5S MolecularWeight: 434.50418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)(C)C)OC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)(C)C)OC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C25H22O5S/c1-15-9-12-19(25(2,3)4)20(13-15)30-24(27)16-10-11-18-22(14-16)31(28,29)21-8-6-5-7-17(21)23(18)26/h5-14H,1-4H3