(4-oxidanylidene-4-phenyl-butyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: (4-oxidanylidene-4-phenyl-butyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (4-oxo-4-phenyl-butyl) 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (4-oxo-4-phenylbutyl) ester IUPAC Name: (4-oxo-4-phenylbutyl) 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (4-keto-4-phenyl-butyl) ester Formula: C24H18O6S MolecularWeight: 434.46112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18O6S/c25-20(16-7-2-1-3-8-16)10-6-14-30-24(27)17-12-13-19-22(15-17)31(28,29)21-11-5-4-9-18(21)23(19)26/h1-5,7-9,11-13,15H,6,10,14H2