5-[3,7-bis(fluoranyl)dodecoxy]-2-(4-nonylphenyl)pyrimidine

Systemtic Name: 5-[3,7-bis(fluoranyl)dodecoxy]-2-(4-nonylphenyl)pyrimidine Openeye Name: 5-(3,7-difluorododecoxy)-2-(4-nonylphenyl)pyrimidine CAS Name: 5-(3,7-difluorododecoxy)-2-(4-nonylphenyl)pyrimidine IUPAC Name: 5-(3,7-difluorododecoxy)-2-(4-nonylphenyl)pyrimidine Traditional Name: 5-(3,7-difluorododecoxy)-2-(4-nonylphenyl)pyrimidine Formula: C31H48F2N2O MolecularWeight: 502.722426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCC(CCCC(CCCCC)F)F

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCC(CCCC(CCCCC)F)F

InChI

InChI=1S/C31H48F2N2O/c1-3-5-7-8-9-10-12-14-26-18-20-27(21-19-26)31-34-24-30(25-35-31)36-23-22-29(33)17-13-16-28(32)15-11-6-4-2/h18-21,24-25,28-29H,3-17,22-23H2,1-2H3