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

Systemtic Name: (4-butylphenyl) 2-heptylthieno[2,3-b]thiophene-5-carboxylate Openeye Name: (4-butylphenyl) 2-heptylthieno[2,3-b]thiophene-5-carboxylate CAS Name: 2-heptyl-5-thieno[2,3-b]thiophenecarboxylic acid (4-butylphenyl) ester IUPAC Name: (4-butylphenyl) 2-heptylthieno[2,3-b]thiophene-5-carboxylate Traditional Name: 2-heptylthieno[2,3-b]thiophene-5-carboxylic acid (4-butylphenyl) ester Formula: C24H30O2S2 MolecularWeight: 414.6238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30O2S2/c1-3-5-7-8-9-11-21-16-19-17-22(28-24(19)27-21)23(25)26-20-14-12-18(13-15-20)10-6-4-2/h12-17H,3-11H2,1-2H3