[4-(2-fluoranyloctoxy)phenyl] 5-dodecylthiophene-2-carboxylate

Systemtic Name: [4-(2-fluoranyloctoxy)phenyl] 5-dodecylthiophene-2-carboxylate Openeye Name: [4-(2-fluorooctoxy)phenyl] 5-dodecylthiophene-2-carboxylate CAS Name: 5-dodecyl-2-thiophenecarboxylic acid [4-(2-fluorooctoxy)phenyl] ester IUPAC Name: [4-(2-fluorooctoxy)phenyl] 5-dodecylthiophene-2-carboxylate Traditional Name: 5-laurylthiophene-2-carboxylic acid [4-(2-fluorooctoxy)phenyl] ester Formula: C31H47FO3S MolecularWeight: 518.766483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(S1)C(=O)OC2=CC=C(C=C2)OCC(CCCCCC)F

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(S1)C(=O)OC2=CC=C(C=C2)OCC(CCCCCC)F

InChI

InChI=1S/C31H47FO3S/c1-3-5-7-9-10-11-12-13-14-16-18-29-23-24-30(36-29)31(33)35-28-21-19-27(20-22-28)34-25-26(32)17-15-8-6-4-2/h19-24,26H,3-18,25H2,1-2H3