3-hexyl-4,8-dimethyl-7-[4-nitro-2-(trifluoromethyl)phenoxy]chromen-2-one

Systemtic Name: 3-hexyl-4,8-dimethyl-7-[4-nitro-2-(trifluoromethyl)phenoxy]chromen-2-one Openeye Name: 3-hexyl-4,8-dimethyl-7-[4-nitro-2-(trifluoromethyl)phenoxy]chromen-2-one CAS Name: 3-hexyl-4,8-dimethyl-7-[4-nitro-2-(trifluoromethyl)phenoxy]-1-benzopyran-2-one IUPAC Name: 3-hexyl-4,8-dimethyl-7-[4-nitro-2-(trifluoromethyl)phenoxy]chromen-2-one Traditional Name: 3-hexyl-4,8-dimethyl-7-[4-nitro-2-(trifluoromethyl)phenoxy]coumarin Formula: C24H24F3NO5 MolecularWeight: 463.44627

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C(=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F)C)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C(=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F)C)OC1=O)C

InChI

InChI=1S/C24H24F3NO5/c1-4-5-6-7-8-18-14(2)17-10-12-20(15(3)22(17)33-23(18)29)32-21-11-9-16(28(30)31)13-19(21)24(25,26)27/h9-13H,4-8H2,1-3H3