(4-tert-butyl-2,6-dimethyl-phenyl)methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C27H26O5S MolecularWeight: 462.55734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C)C(C)(C)C

InChI

InChI=1S/C27H26O5S/c1-16-12-19(27(3,4)5)13-17(2)22(16)15-32-26(29)18-10-11-21-24(14-18)33(30,31)23-9-7-6-8-20(23)25(21)28/h6-14H,15H2,1-5H3