(4-heptylphenyl) 2-pentylthieno[2,3-b]thiophene-5-carboxylate

Systemtic Name: (4-heptylphenyl) 2-pentylthieno[2,3-b]thiophene-5-carboxylate Openeye Name: (4-heptylphenyl) 2-pentylthieno[2,3-b]thiophene-5-carboxylate CAS Name: 2-pentyl-5-thieno[2,3-b]thiophenecarboxylic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 2-pentylthieno[2,3-b]thiophene-5-carboxylate Traditional Name: 2-amylthieno[2,3-b]thiophene-5-carboxylic acid (4-heptylphenyl) ester Formula: C25H32O2S2 MolecularWeight: 428.65038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC3=C(S2)SC(=C3)CCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC3=C(S2)SC(=C3)CCCCC

InChI

InChI=1S/C25H32O2S2/c1-3-5-7-8-10-11-19-13-15-21(16-14-19)27-24(26)23-18-20-17-22(12-9-6-4-2)28-25(20)29-23/h13-18H,3-12H2,1-2H3