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

Systemtic Name: (4-nonoxyphenyl) 2-pentylthieno[2,3-b]thiophene-5-carboxylate Openeye Name: (4-nonoxyphenyl) 2-pentylthieno[2,3-b]thiophene-5-carboxylate CAS Name: 2-pentyl-5-thieno[2,3-b]thiophenecarboxylic acid (4-nonoxyphenyl) ester IUPAC Name: (4-nonoxyphenyl) 2-pentylthieno[2,3-b]thiophene-5-carboxylate Traditional Name: 2-amylthieno[2,3-b]thiophene-5-carboxylic acid (4-nonoxyphenyl) ester Formula: C27H36O3S2 MolecularWeight: 472.70294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC3=C(S2)SC(=C3)CCCCC

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC3=C(S2)SC(=C3)CCCCC

InChI

InChI=1S/C27H36O3S2/c1-3-5-7-8-9-10-12-18-29-22-14-16-23(17-15-22)30-26(28)25-20-21-19-24(13-11-6-4-2)31-27(21)32-25/h14-17,19-20H,3-13,18H2,1-2H3