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

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 5-dodecylthiophene-2-carboxylate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 5-dodecylthiophene-2-carboxylate CAS Name: 5-dodecyl-2-thiophenecarboxylic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 5-dodecylthiophene-2-carboxylate Traditional Name: 5-laurylthiophene-2-carboxylic acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C33H46N2O2S MolecularWeight: 534.79554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H46N2O2S/c1-3-5-7-9-10-11-12-13-14-16-18-30-23-24-31(38-30)33(36)37-29-21-19-28(20-22-29)32-34-25-27(26-35-32)17-15-8-6-4-2/h19-26H,3-18H2,1-2H3