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

Systemtic Name: 2-ethylhexyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: 2-ethylhexyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid 2-ethylhexyl ester Formula: C22H24O5S MolecularWeight: 400.48796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CCCCC(CC)COC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C22H24O5S/c1-3-5-8-15(4-2)14-27-22(24)16-11-12-18-20(13-16)28(25,26)19-10-7-6-9-17(19)21(18)23/h6-7,9-13,15H,3-5,8,14H2,1-2H3