2-[4-(3,7-dimethyloctoxy)phenyl]-5-nonyl-pyrimidine

Systemtic Name: 2-[4-(3,7-dimethyloctoxy)phenyl]-5-nonyl-pyrimidine Openeye Name: 2-[4-(3,7-dimethyloctoxy)phenyl]-5-nonyl-pyrimidine CAS Name: 2-[4-(3,7-dimethyloctoxy)phenyl]-5-nonylpyrimidine IUPAC Name: 2-[4-(3,7-dimethyloctoxy)phenyl]-5-nonylpyrimidine Traditional Name: 2-[4-(3,7-dimethyloctoxy)phenyl]-5-nonyl-pyrimidine Formula: C29H46N2O MolecularWeight: 438.68834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)CCCC(C)C

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)CCCC(C)C

InChI

InChI=1S/C29H46N2O/c1-5-6-7-8-9-10-11-15-26-22-30-29(31-23-26)27-16-18-28(19-17-27)32-21-20-25(4)14-12-13-24(2)3/h16-19,22-25H,5-15,20-21H2,1-4H3