2-(4-dodecylphenyl)-5-octoxy-pyrimidine; 5-octoxy-2-(4-pentylphenyl)pyrimidine; 5-octoxy-2-(4-undecylphenyl)pyrimidine

Systemtic Name: 2-(4-dodecylphenyl)-5-octoxy-pyrimidine; 5-octoxy-2-(4-pentylphenyl)pyrimidine; 5-octoxy-2-(4-undecylphenyl)pyrimidine Openeye Name: 2-(4-dodecylphenyl)-5-octoxy-pyrimidine; 5-octoxy-2-(4-pentylphenyl)pyrimidine; 5-octoxy-2-(4-undecylphenyl)pyrimidine CAS Name: 2-(4-dodecylphenyl)-5-octoxypyrimidine; 5-octoxy-2-(4-pentylphenyl)pyrimidine; 5-octoxy-2-(4-undecylphenyl)pyrimidine IUPAC Name: 2-(4-dodecylphenyl)-5-octoxypyrimidine; 5-octoxy-2-(4-pentylphenyl)pyrimidine; 5-octoxy-2-(4-undecylphenyl)pyrimidine Traditional Name: 2-(4-amylphenyl)-5-octoxy-pyrimidine; 2-(4-laurylphenyl)-5-octoxy-pyrimidine; 5-octoxy-2-(4-undecylphenyl)pyrimidine Formula: C82H128N6O3 MolecularWeight: 1245.93212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCCCCCCC.CCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCCCCCCC.CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)CCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCCCCCCC.CCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCCCCCCC.CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)CCCCC

InChI

InChI=1S/C30H48N2O.C29H46N2O.C23H34N2O/c1-3-5-7-9-11-12-13-14-15-17-19-27-20-22-28(23-21-27)30-31-25-29(26-32-30)33-24-18-16-10-8-6-4-2;1-3-5-7-9-11-12-13-14-16-18-26-19-21-27(22-20-26)29-30-24-28(25-31-29)32-23-17-15-10-8-6-4-2;1-3-5-7-8-9-11-17-26-22-18-24-23(25-19-22)21-15-13-20(14-16-21)12-10-6-4-2/h20-23,25-26H,3-19,24H2,1-2H3;19-22,24-25H,3-18,23H2,1-2H3;13-16,18-19H,3-12,17H2,1-2H3