7-oxidanyl-4-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7-oxidanyl-4-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]chromen-2-one Openeye Name: 7-hydroxy-4-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-4-[[[3-(trifluoromethyl)phenyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[[3-(trifluoromethyl)phenyl]thio]methyl]coumarin Formula: C17H11F3O3S MolecularWeight: 352.32765

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SCC2=CC(=O)OC3=C2C=CC(=C3)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)SCC2=CC(=O)OC3=C2C=CC(=C3)O)C(F)(F)F

InChI

InChI=1S/C17H11F3O3S/c18-17(19,20)11-2-1-3-13(7-11)24-9-10-6-16(22)23-15-8-12(21)4-5-14(10)15/h1-8,21H,9H2