(4-propan-2-ylphenyl)methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: (4-propan-2-ylphenyl)methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (4-isopropylphenyl)methyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (4-isopropylbenzyl) ester Formula: C24H20O5S MolecularWeight: 420.4776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C24H20O5S/c1-15(2)17-9-7-16(8-10-17)14-29-24(26)18-11-12-20-22(13-18)30(27,28)21-6-4-3-5-19(21)23(20)25/h3-13,15H,14H2,1-2H3