3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecakis(fluoranyl)decyl (E)-3-[4-(5-heptylpyrimidin-2-yl)phenyl]prop-2-enoate

Systemtic Name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecakis(fluoranyl)decyl (E)-3-[4-(5-heptylpyrimidin-2-yl)phenyl]prop-2-enoate Openeye Name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl (E)-3-[4-(5-heptylpyrimidin-2-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(5-heptyl-2-pyrimidinyl)phenyl]-2-propenoic acid 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl ester IUPAC Name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl (E)-3-[4-(5-heptylpyrimidin-2-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(5-heptylpyrimidin-2-yl)phenyl]acrylic acid 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl ester Formula: C30H27F17N2O2 MolecularWeight: 770.520434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C=CC(=O)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)/C=C/C(=O)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C30H27F17N2O2/c1-2-3-4-5-6-7-19-16-48-22(49-17-19)20-11-8-18(9-12-20)10-13-21(50)51-15-14-23(31,32)24(33,34)25(35,36)26(37,38)27(39,40)28(41,42)29(43,44)30(45,46)47/h8-13,16-17H,2-7,14-15H2,1H3/b13-10+