(2,3-dicyano-4-hexoxy-phenyl) 5-hexylthiophene-2-carboxylate

Systemtic Name: (2,3-dicyano-4-hexoxy-phenyl) 5-hexylthiophene-2-carboxylate Openeye Name: (2,3-dicyano-4-hexoxy-phenyl) 5-hexylthiophene-2-carboxylate CAS Name: 5-hexyl-2-thiophenecarboxylic acid (2,3-dicyano-4-hexoxyphenyl) ester IUPAC Name: (2,3-dicyano-4-hexoxyphenyl) 5-hexylthiophene-2-carboxylate Traditional Name: 5-hexylthiophene-2-carboxylic acid (2,3-dicyano-4-hexoxy-phenyl) ester Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(S1)C(=O)OC2=C(C(=C(C=C2)OCCCCCC)C#N)C#N

Isomeric SMILES

CCCCCCC1=CC=C(S1)C(=O)OC2=C(C(=C(C=C2)OCCCCCC)C#N)C#N

InChI

InChI=1S/C25H30N2O3S/c1-3-5-7-9-11-19-12-15-24(31-19)25(28)30-23-14-13-22(20(17-26)21(23)18-27)29-16-10-8-6-4-2/h12-15H,3-11,16H2,1-2H3