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

Systemtic Name: 4-(trifluoromethyl)-7-[3,4,5-tris(oxidanyl)thian-2-yl]sulfanyl-chromen-2-one Openeye Name: 4-(trifluoromethyl)-7-(3,4,5-trihydroxytetrahydrothiopyran-2-yl)sulfanyl-chromen-2-one CAS Name: 4-(trifluoromethyl)-7-[(3,4,5-trihydroxy-2-thianyl)thio]-1-benzopyran-2-one IUPAC Name: 4-(trifluoromethyl)-7-(3,4,5-trihydroxythian-2-yl)sulfanylchromen-2-one Traditional Name: 4-(trifluoromethyl)-7-[(3,4,5-trihydroxytetrahydrothiopyran-2-yl)thio]coumarin Formula: C15H13F3O5S2 MolecularWeight: 394.38593

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(S1)SC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)O)O)O

Isomeric SMILES

C1C(C(C(C(S1)SC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)O)O)O

InChI

InChI=1S/C15H13F3O5S2/c16-15(17,18)8-4-11(20)23-10-3-6(1-2-7(8)10)25-14-13(22)12(21)9(19)5-24-14/h1-4,9,12-14,19,21-22H,5H2