4-(trifluoromethyl)-7-[3,4,5-tris(oxidanyl)thian-2-yl]oxy-chromen-2-one

Systemtic Name: 4-(trifluoromethyl)-7-[3,4,5-tris(oxidanyl)thian-2-yl]oxy-chromen-2-one Openeye Name: 4-(trifluoromethyl)-7-(3,4,5-trihydroxytetrahydrothiopyran-2-yl)oxy-chromen-2-one CAS Name: 4-(trifluoromethyl)-7-[(3,4,5-trihydroxy-2-thianyl)oxy]-1-benzopyran-2-one IUPAC Name: 4-(trifluoromethyl)-7-(3,4,5-trihydroxythian-2-yl)oxychromen-2-one Traditional Name: 4-(trifluoromethyl)-7-(3,4,5-trihydroxytetrahydrothiopyran-2-yl)oxy-coumarin Formula: C15H13F3O6S MolecularWeight: 378.32033

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(S1)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)O)O)O

Isomeric SMILES

C1C(C(C(C(S1)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)O)O)O

InChI

InChI=1S/C15H13F3O6S/c16-15(17,18)8-4-11(20)24-10-3-6(1-2-7(8)10)23-14-13(22)12(21)9(19)5-25-14/h1-4,9,12-14,19,21-22H,5H2