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

Systemtic Name: (4-pentylphenyl) 2-nonylthieno[2,3-b]thiophene-5-carboxylate Openeye Name: (4-pentylphenyl) 2-nonylthieno[2,3-b]thiophene-5-carboxylate CAS Name: 2-nonyl-5-thieno[2,3-b]thiophenecarboxylic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 2-nonylthieno[2,3-b]thiophene-5-carboxylate Traditional Name: 2-nonylthieno[2,3-b]thiophene-5-carboxylic acid (4-amylphenyl) ester Formula: C27H36O2S2 MolecularWeight: 456.70354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC2=C(S1)SC(=C2)C(=O)OC3=CC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCCCCCC1=CC2=C(S1)SC(=C2)C(=O)OC3=CC=C(C=C3)CCCCC

InChI

InChI=1S/C27H36O2S2/c1-3-5-7-8-9-10-12-14-24-19-22-20-25(31-27(22)30-24)26(28)29-23-17-15-21(16-18-23)13-11-6-4-2/h15-20H,3-14H2,1-2H3