2-(3-ethylphenoxy)ethyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: 2-(3-ethylphenoxy)ethyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: 2-(3-ethylphenoxy)ethyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid 2-(3-ethylphenoxy)ethyl ester IUPAC Name: 2-(3-ethylphenoxy)ethyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid 2-(3-ethylphenoxy)ethyl ester Formula: C24H20O6S MolecularWeight: 436.477

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCCOC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CCC1=CC(=CC=C1)OCCOC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C24H20O6S/c1-2-16-6-5-7-18(14-16)29-12-13-30-24(26)17-10-11-20-22(15-17)31(27,28)21-9-4-3-8-19(21)23(20)25/h3-11,14-15H,2,12-13H2,1H3