2-(4-propoxyphenoxy)ethyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: 2-(4-propoxyphenoxy)ethyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: 2-(4-propoxyphenoxy)ethyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid 2-(4-propoxyphenoxy)ethyl ester IUPAC Name: 2-(4-propoxyphenoxy)ethyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid 2-(4-propoxyphenoxy)ethyl ester Formula: C25H22O7S MolecularWeight: 466.50298

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OCCOC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CCCOC1=CC=C(C=C1)OCCOC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C25H22O7S/c1-2-13-30-18-8-10-19(11-9-18)31-14-15-32-25(27)17-7-12-21-23(16-17)33(28,29)22-6-4-3-5-20(22)24(21)26/h3-12,16H,2,13-15H2,1H3