3-phenylpropyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: 3-phenylpropyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: 3-phenylpropyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid 3-phenylpropyl ester Formula: C23H18O5S MolecularWeight: 406.45102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C23H18O5S/c24-22-18-10-4-5-11-20(18)29(26,27)21-15-17(12-13-19(21)22)23(25)28-14-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-13,15H,6,9,14H2