4,6-bis(chloranyl)-2-[4-(6-methyloctoxy)phenyl]-5-octyl-pyrimidine

Systemtic Name: 4,6-bis(chloranyl)-2-[4-(6-methyloctoxy)phenyl]-5-octyl-pyrimidine Openeye Name: 4,6-dichloro-2-[4-(6-methyloctoxy)phenyl]-5-octyl-pyrimidine CAS Name: 4,6-dichloro-2-[4-(6-methyloctoxy)phenyl]-5-octylpyrimidine IUPAC Name: 4,6-dichloro-2-[4-(6-methyloctoxy)phenyl]-5-octylpyrimidine Traditional Name: 4,6-dichloro-2-[4-(6-methyloctoxy)phenyl]-5-octyl-pyrimidine Formula: C27H40Cl2N2O MolecularWeight: 479.5253

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(N=C(N=C1Cl)C2=CC=C(C=C2)OCCCCCC(C)CC)Cl

Isomeric SMILES

CCCCCCCCC1=C(N=C(N=C1Cl)C2=CC=C(C=C2)OCCCCCC(C)CC)Cl

InChI

InChI=1S/C27H40Cl2N2O/c1-4-6-7-8-9-12-15-24-25(28)30-27(31-26(24)29)22-16-18-23(19-17-22)32-20-13-10-11-14-21(3)5-2/h16-19,21H,4-15,20H2,1-3H3