ethanedioic acid; 1-methyl-4-[8-(trifluoromethyl)-6H-benzo[b][1,5]benzoxathiepin-6-yl]piperidine

Systemtic Name: ethanedioic acid; 1-methyl-4-[8-(trifluoromethyl)-6H-benzo[b][1,5]benzoxathiepin-6-yl]piperidine Openeye Name: 1-methyl-4-[8-(trifluoromethyl)-6H-benzo[b][1,5]benzoxathiepin-6-yl]piperidine; oxalic acid CAS Name: 1-methyl-4-[8-(trifluoromethyl)-6H-benzo[b][1,5]benzoxathiepin-6-yl]piperidine; oxalic acid IUPAC Name: 1-methyl-4-[8-(trifluoromethyl)-6H-benzo[b][1,5]benzoxathiepin-6-yl]piperidine; oxalic acid Traditional Name: 1-methyl-4-[8-(trifluoromethyl)-6H-benzo[b][1,5]benzoxathiepin-6-yl]piperidine; oxalic acid Formula: C22H22F3NO5S MolecularWeight: 469.47399

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2C3=C(C=CC(=C3)C(F)(F)F)OC4=CC=CC=C4S2.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC(CC1)C2C3=C(C=CC(=C3)C(F)(F)F)OC4=CC=CC=C4S2.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H20F3NOS.C2H2O4/c1-24-10-8-13(9-11-24)19-15-12-14(20(21,22)23)6-7-16(15)25-17-4-2-3-5-18(17)26-19;3-1(4)2(5)6/h2-7,12-13,19H,8-11H2,1H3;(H,3,4)(H,5,6)