2-[2,5-bis(chloranyl)thiophen-3-yl]-8-[(3S,4R)-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-[2,5-bis(chloranyl)thiophen-3-yl]-8-[(3S,4R)-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-(2,5-dichloro-3-thienyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidyl]chromen-4-one; 2,2,2-trifluoroacetic acid CAS Name: 2-(2,5-dichloro-3-thiophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidinyl]-1-benzopyran-4-one; 2,2,2-trifluoroacetic acid IUPAC Name: 2-(2,5-dichlorothiophen-3-yl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one; 2,2,2-trifluoroacetic acid Traditional Name: 2-(2,5-dichloro-3-thienyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidyl]chromone; 2,2,2-trifluoroacetic acid Formula: C21H18Cl2F3NO7S MolecularWeight: 556.33633

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=C(SC(=C4)Cl)Cl)O)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=C(SC(=C4)Cl)Cl)O)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C19H17Cl2NO5S.C2HF3O2/c1-22-3-2-8(13(26)7-22)16-10(23)5-11(24)17-12(25)6-14(27-18(16)17)9-4-15(20)28-19(9)21;3-2(4,5)1(6)7/h4-6,8,13,23-24,26H,2-3,7H2,1H3;(H,6,7)/t8-,13+;/m0./s1