[4-(5-dodecylpyrimidin-2-yl)phenyl] 5-dodecylthiophene-2-carboxylate

Systemtic Name: [4-(5-dodecylpyrimidin-2-yl)phenyl] 5-dodecylthiophene-2-carboxylate Openeye Name: [4-(5-dodecylpyrimidin-2-yl)phenyl] 5-dodecylthiophene-2-carboxylate CAS Name: 5-dodecyl-2-thiophenecarboxylic acid [4-(5-dodecyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-dodecylpyrimidin-2-yl)phenyl] 5-dodecylthiophene-2-carboxylate Traditional Name: 5-laurylthiophene-2-carboxylic acid [4-(5-laurylpyrimidin-2-yl)phenyl] ester Formula: C39H58N2O2S MolecularWeight: 618.95502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(S1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(S1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCCCCCCC

InChI

InChI=1S/C39H58N2O2S/c1-3-5-7-9-11-13-15-17-19-21-23-33-31-40-38(41-32-33)34-25-27-35(28-26-34)43-39(42)37-30-29-36(44-37)24-22-20-18-16-14-12-10-8-6-4-2/h25-32H,3-24H2,1-2H3