(2,3-dicyano-4-octoxy-phenyl) 5-dodecylthiophene-2-carboxylate

Systemtic Name: (2,3-dicyano-4-octoxy-phenyl) 5-dodecylthiophene-2-carboxylate Openeye Name: (2,3-dicyano-4-octoxy-phenyl) 5-dodecylthiophene-2-carboxylate CAS Name: 5-dodecyl-2-thiophenecarboxylic acid (2,3-dicyano-4-octoxyphenyl) ester IUPAC Name: (2,3-dicyano-4-octoxyphenyl) 5-dodecylthiophene-2-carboxylate Traditional Name: 5-laurylthiophene-2-carboxylic acid (2,3-dicyano-4-octoxy-phenyl) ester Formula: C33H46N2O3S MolecularWeight: 550.79494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(S1)C(=O)OC2=C(C(=C(C=C2)OCCCCCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(S1)C(=O)OC2=C(C(=C(C=C2)OCCCCCCCC)C#N)C#N

InChI

InChI=1S/C33H46N2O3S/c1-3-5-7-9-11-12-13-14-15-17-19-27-20-23-32(39-27)33(36)38-31-22-21-30(28(25-34)29(31)26-35)37-24-18-16-10-8-6-4-2/h20-23H,3-19,24H2,1-2H3