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3-(trifluoromethyl)heptyl 4-(4-octoxyphenyl)benzoate

3-(trifluoromethyl)heptyl 4-(4-octoxyphenyl)benzoate

Systemtic Name:3-(trifluoromethyl)heptyl 4-(4-octoxyphenyl)benzoate
Openeye Name:3-(trifluoromethyl)heptyl 4-(4-octoxyphenyl)benzoate
CAS Name:4-(4-octoxyphenyl)benzoic acid 3-(trifluoromethyl)heptyl ester
IUPAC Name:3-(trifluoromethyl)heptyl 4-(4-octoxyphenyl)benzoate
Traditional Name:4-(4-octoxyphenyl)benzoic acid 3-(trifluoromethyl)heptyl ester
Formula: C29H39F3O3
MolecularWeight: 492.61337
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCCC(CCCC)C(F)(F)F


Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCCC(CCCC)C(F)(F)F


InChI

InChI=1S/C29H39F3O3/c1-3-5-7-8-9-10-21-34-27-18-16-24(17-19-27)23-12-14-25(15-13-23)28(33)35-22-20-26(11-6-4-2)29(30,31)32/h12-19,26H,3-11,20-22H2,1-2H3


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