4-[[4-oxidanyl-7-oxidanylidene-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-3-yl]oxy]benzoate

Systemtic Name: 4-[[4-oxidanyl-7-oxidanylidene-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-3-yl]oxy]benzoate Openeye Name: 4-[[4-hydroxy-7-oxo-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-3-yl]oxy]benzoate CAS Name: 4-[[4-hydroxy-7-oxo-2-(trifluoromethyl)-5,6,8,8a-tetrahydro-1-benzopyran-3-yl]oxy]benzoate IUPAC Name: 4-[[4-hydroxy-7-oxo-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-3-yl]oxy]benzoate Traditional Name: 4-[[4-hydroxy-7-keto-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-3-yl]oxy]benzoate Formula: C17H12F3O6- MolecularWeight: 369.26879

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=C(OC2CC1=O)C(F)(F)F)OC3=CC=C(C=C3)C(=O)[O-])O

Isomeric SMILES

C1CC2=C(C(=C(OC2CC1=O)C(F)(F)F)OC3=CC=C(C=C3)C(=O)[O-])O

InChI

InChI=1S/C17H13F3O6/c18-17(19,20)15-14(25-10-4-1-8(2-5-10)16(23)24)13(22)11-6-3-9(21)7-12(11)26-15/h1-2,4-5,12,22H,3,6-7H2,(H,23,24)/p-1