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

Systemtic Name: 3-(4-tert-butylphenoxy)-4-oxidanyl-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(4-tert-butylphenoxy)-4-hydroxy-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(4-tert-butylphenoxy)-4-hydroxy-2-(trifluoromethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(4-tert-butylphenoxy)-4-hydroxy-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(4-tert-butylphenoxy)-4-hydroxy-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C20H21F3O4 MolecularWeight: 382.37355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21F3O4/c1-19(2,3)11-4-7-13(8-5-11)26-17-16(25)14-9-6-12(24)10-15(14)27-18(17)20(21,22)23/h4-5,7-8,15,25H,6,9-10H2,1-3H3