3-(3,5-dimethylphenoxy)-4-oxidanyl-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 3-(3,5-dimethylphenoxy)-4-oxidanyl-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(3,5-dimethylphenoxy)-4-hydroxy-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(3,5-dimethylphenoxy)-4-hydroxy-2-(trifluoromethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(3,5-dimethylphenoxy)-4-hydroxy-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(3,5-dimethylphenoxy)-4-hydroxy-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C18H17F3O4 MolecularWeight: 354.32039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(OC3CC(=O)CCC3=C2O)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(OC3CC(=O)CCC3=C2O)C(F)(F)F)C

InChI

InChI=1S/C18H17F3O4/c1-9-5-10(2)7-12(6-9)24-16-15(23)13-4-3-11(22)8-14(13)25-17(16)18(19,20)21/h5-7,14,23H,3-4,8H2,1-2H3