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octan-2-yl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate

octan-2-yl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate

Systemtic Name:octan-2-yl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
Openeye Name:1-methylheptyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CAS Name:(E)-3-[3-(trifluoromethyl)phenyl]-2-propenoic acid octan-2-yl ester
IUPAC Name:octan-2-yl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
Traditional Name:(E)-3-[3-(trifluoromethyl)phenyl]acrylic acid 1-methylheptyl ester
Formula: C18H23F3O2
MolecularWeight: 328.36923
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C=CC1=CC(=CC=C1)C(F)(F)F


Isomeric SMILES

CCCCCCC(C)OC(=O)/C=C/C1=CC(=CC=C1)C(F)(F)F


InChI

InChI=1S/C18H23F3O2/c1-3-4-5-6-8-14(2)23-17(22)12-11-15-9-7-10-16(13-15)18(19,20)21/h7,9-14H,3-6,8H2,1-2H3/b12-11+


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