4-[4-[2-(trifluoromethyl)thioxanthen-9-ylidene]piperidin-1-yl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[4-[2-(trifluoromethyl)thioxanthen-9-ylidene]piperidin-1-yl]cyclohexane-1-carboxylic acid Openeye Name: 4-[4-[2-(trifluoromethyl)thioxanthen-9-ylidene]-1-piperidyl]cyclohexanecarboxylic acid CAS Name: 4-[4-[2-(trifluoromethyl)-9-thioxanthenylidene]-1-piperidinyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[4-[2-(trifluoromethyl)thioxanthen-9-ylidene]piperidin-1-yl]cyclohexane-1-carboxylic acid Traditional Name: 4-[4-[2-(trifluoromethyl)thioxanthen-9-ylidene]piperidino]cyclohexanecarboxylic acid Formula: C26H26F3NO2S MolecularWeight: 473.55035

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)N2CCC(=C3C4=CC=CC=C4SC5=C3C=C(C=C5)C(F)(F)F)CC2

Isomeric SMILES

C1CC(CCC1C(=O)O)N2CCC(=C3C4=CC=CC=C4SC5=C3C=C(C=C5)C(F)(F)F)CC2

InChI

InChI=1S/C26H26F3NO2S/c27-26(28,29)18-7-10-23-21(15-18)24(20-3-1-2-4-22(20)33-23)16-11-13-30(14-12-16)19-8-5-17(6-9-19)25(31)32/h1-4,7,10,15,17,19H,5-6,8-9,11-14H2,(H,31,32)