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

Systemtic Name: cyclohexylmethyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: cyclohexylmethyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid cyclohexylmethyl ester Formula: C21H20O5S MolecularWeight: 384.4455

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1CCC(CC1)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C21H20O5S/c22-20-16-8-4-5-9-18(16)27(24,25)19-12-15(10-11-17(19)20)21(23)26-13-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7,13H2