[1-oxidanylidene-1-(4-propylphenyl)propan-2-yl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-(4-propylphenyl)propan-2-yl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: [1-methyl-2-oxo-2-(4-propylphenyl)ethyl] 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [1-oxo-1-(4-propylphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-propylphenyl)propan-2-yl] 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid [2-keto-1-methyl-2-(4-propylphenyl)ethyl] ester Formula: C26H22O6S MolecularWeight: 462.51428

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C26H22O6S/c1-3-6-17-9-11-18(12-10-17)24(27)16(2)32-26(29)19-13-14-21-23(15-19)33(30,31)22-8-5-4-7-20(22)25(21)28/h4-5,7-16H,3,6H2,1-2H3