5-dodecyl-2-[4-[(4-dodecylphenoxy)methyl]cyclohexyl]pyrimidine

Systemtic Name: 5-dodecyl-2-[4-[(4-dodecylphenoxy)methyl]cyclohexyl]pyrimidine Openeye Name: 5-dodecyl-2-[4-[(4-dodecylphenoxy)methyl]cyclohexyl]pyrimidine CAS Name: 5-dodecyl-2-[4-[(4-dodecylphenoxy)methyl]cyclohexyl]pyrimidine IUPAC Name: 5-dodecyl-2-[4-[(4-dodecylphenoxy)methyl]cyclohexyl]pyrimidine Traditional Name: 5-lauryl-2-[4-[(4-laurylphenoxy)methyl]cyclohexyl]pyrimidine Formula: C41H68N2O MolecularWeight: 604.99142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)OCC2CCC(CC2)C3=NC=C(C=N3)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)OCC2CCC(CC2)C3=NC=C(C=N3)CCCCCCCCCCCC

InChI

InChI=1S/C41H68N2O/c1-3-5-7-9-11-13-15-17-19-21-23-36-27-31-40(32-28-36)44-35-37-25-29-39(30-26-37)41-42-33-38(34-43-41)24-22-20-18-16-14-12-10-8-6-4-2/h27-28,31-34,37,39H,3-26,29-30,35H2,1-2H3