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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)OC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1CCCC(CC1)OC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C21H20O5S/c22-20-16-9-5-6-10-18(16)27(24,25)19-13-14(11-12-17(19)20)21(23)26-15-7-3-1-2-4-8-15/h5-6,9-13,15H,1-4,7-8H2