IUPAC Name: [3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl

[Synonyms]

[Structure]

[ Properties Computed from Structure]

Molecular Weight	583.76715 [g/mol]
Molecular Formula	C27H16Cl3F3O5
XLogP	8.5
H-Bond Donor	0
H-Bond Acceptor	8
Rotatable Bond Count	6
Exact Mass	582.001541
MonoIsotopic Mass	582.001541
Topological Polar Surface Area	61.8
Heavy Atom Count	38
Formal Charge	0
Complexity	943
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	1
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

[ Descriptors Computed from Structure]
IUPAC Name: [3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]
(E)-3-(3,4-dichlorophenyl)prop-2-enoate
Canonical SMILES: CC1=CC(=CC(=C1Cl)C)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C=CC4=CC(=C(C=C4)Cl)
Cl)C(F)(F)F
Isomeric SMILES: CC1=CC(=CC(=C1Cl)C)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)\C=C\C4=CC(=C(C=C4)
Cl)Cl)C(F)(F)F
InChI: InChI=1/C27H16Cl3F3O5/c1-13-9-17(10-14(2)23(13)30)37-25-24(35)18-6-5-16
(12-21(18)38-26(25)27(31,
32)33)36-22(34)8-4-15-3-7-19(28)20(29)11-15/h3-12H,1-2H3/b8-4+