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

Systemtic Name: 4-[4-oxidanyl-7-oxidanylidene-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-3-yl]benzoate Openeye Name: 4-[4-hydroxy-7-oxo-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-3-yl]benzoate CAS Name: 4-[4-hydroxy-7-oxo-2-(trifluoromethyl)-5,6,8,8a-tetrahydro-1-benzopyran-3-yl]benzoate IUPAC Name: 4-[4-hydroxy-7-oxo-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-3-yl]benzoate Traditional Name: 4-[4-hydroxy-7-keto-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-3-yl]benzoate Formula: C17H12F3O5- MolecularWeight: 353.26939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13F3O5/c18-17(19,20)15-13(8-1-3-9(4-2-8)16(23)24)14(22)11-6-5-10(21)7-12(11)25-15/h1-4,12,22H,5-7H2,(H,23,24)/p-1