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

Systemtic Name: 2-(3-methylphenoxy)ethyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: 2-(3-methylphenoxy)ethyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid 2-(3-methylphenoxy)ethyl ester IUPAC Name: 2-(3-methylphenoxy)ethyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid 2-(3-methylphenoxy)ethyl ester Formula: C23H18O6S MolecularWeight: 422.45042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCOC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CC1=CC(=CC=C1)OCCOC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C23H18O6S/c1-15-5-4-6-17(13-15)28-11-12-29-23(25)16-9-10-19-21(14-16)30(26,27)20-8-3-2-7-18(20)22(19)24/h2-10,13-14H,11-12H2,1H3