(4-pentylphenyl) 2-heptylthieno[2,3-b]thiophene-5-carboxylate

Systemtic Name: (4-pentylphenyl) 2-heptylthieno[2,3-b]thiophene-5-carboxylate Openeye Name: (4-pentylphenyl) 2-heptylthieno[2,3-b]thiophene-5-carboxylate CAS Name: 2-heptyl-5-thieno[2,3-b]thiophenecarboxylic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 2-heptylthieno[2,3-b]thiophene-5-carboxylate Traditional Name: 2-heptylthieno[2,3-b]thiophene-5-carboxylic acid (4-amylphenyl) ester Formula: C25H32O2S2 MolecularWeight: 428.65038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=C(S1)SC(=C2)C(=O)OC3=CC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCCCC1=CC2=C(S1)SC(=C2)C(=O)OC3=CC=C(C=C3)CCCCC

InChI

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