6-hexyl-7-oxidanyl-4-(trifluoromethyl)chromen-2-one

Systemtic Name: 6-hexyl-7-oxidanyl-4-(trifluoromethyl)chromen-2-one Openeye Name: 6-hexyl-7-hydroxy-4-(trifluoromethyl)chromen-2-one CAS Name: 6-hexyl-7-hydroxy-4-(trifluoromethyl)-1-benzopyran-2-one IUPAC Name: 6-hexyl-7-hydroxy-4-(trifluoromethyl)chromen-2-one Traditional Name: 6-hexyl-7-hydroxy-4-(trifluoromethyl)coumarin Formula: C16H17F3O3 MolecularWeight: 314.29959

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C(=CC(=O)O2)C(F)(F)F)O

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C(=CC(=O)O2)C(F)(F)F)O

InChI

InChI=1S/C16H17F3O3/c1-2-3-4-5-6-10-7-11-12(16(17,18)19)8-15(21)22-14(11)9-13(10)20/h7-9,20H,2-6H2,1H3