6-hexyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-4-phenyl-chromen-2-one

Systemtic Name: 6-hexyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-4-phenyl-chromen-2-one Openeye Name: 6-hexyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-4-phenyl-chromen-2-one CAS Name: 6-hexyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-4-phenyl-1-benzopyran-2-one IUPAC Name: 6-hexyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-4-phenylchromen-2-one Traditional Name: 6-hexyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-4-phenyl-coumarin Formula: C28H24F3NO5 MolecularWeight: 511.48907

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C28H24F3NO5/c1-2-3-4-6-11-19-14-22-21(18-9-7-5-8-10-18)16-27(33)37-26(22)17-25(19)36-24-13-12-20(28(29,30)31)15-23(24)32(34)35/h5,7-10,12-17H,2-4,6,11H2,1H3