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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(S3)CCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(S3)CCCCCC

InChI

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