2-[4-(2-chloranylthioxanthen-9-ylidene)piperidin-1-yl]ethanol; ethanedioic acid

Systemtic Name: 2-[4-(2-chloranylthioxanthen-9-ylidene)piperidin-1-yl]ethanol; ethanedioic acid Openeye Name: 2-[4-(2-chlorothioxanthen-9-ylidene)-1-piperidyl]ethanol; oxalic acid CAS Name: 2-[4-(2-chloro-9-thioxanthenylidene)-1-piperidinyl]ethanol; oxalic acid IUPAC Name: 2-[4-(2-chlorothioxanthen-9-ylidene)piperidin-1-yl]ethanol; oxalic acid Traditional Name: 2-[4-(2-chlorothioxanthen-9-ylidene)piperidino]ethanol; oxalic acid Formula: C22H22ClNO5S MolecularWeight: 447.93178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H20ClNOS.C2H2O4/c21-15-5-6-19-17(13-15)20(16-3-1-2-4-18(16)24-19)14-7-9-22(10-8-14)11-12-23;3-1(4)2(5)6/h1-6,13,23H,7-12H2;(H,3,4)(H,5,6)