cyclohexyl 9-oxidanylidenethioxanthene-2-carboxylate

Systemtic Name: cyclohexyl 9-oxidanylidenethioxanthene-2-carboxylate Openeye Name: cyclohexyl 9-oxothioxanthene-2-carboxylate CAS Name: 9-oxo-2-thioxanthenecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 9-oxothioxanthene-2-carboxylate Traditional Name: 9-ketothioxanthene-2-carboxylic acid cyclohexyl ester Formula: C20H18O3S MolecularWeight: 338.42012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C3=O

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C3=O

InChI

InChI=1S/C20H18O3S/c21-19-15-8-4-5-9-17(15)24-18-11-10-13(12-16(18)19)20(22)23-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2