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

Systemtic Name: (4-heptylphenyl) 2-nonylthieno[2,3-b]thiophene-5-carboxylate Openeye Name: (4-heptylphenyl) 2-nonylthieno[2,3-b]thiophene-5-carboxylate CAS Name: 2-nonyl-5-thieno[2,3-b]thiophenecarboxylic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 2-nonylthieno[2,3-b]thiophene-5-carboxylate Traditional Name: 2-nonylthieno[2,3-b]thiophene-5-carboxylic acid (4-heptylphenyl) ester Formula: C29H40O2S2 MolecularWeight: 484.7567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40O2S2/c1-3-5-7-9-10-12-14-16-26-21-24-22-27(33-29(24)32-26)28(30)31-25-19-17-23(18-20-25)15-13-11-8-6-4-2/h17-22H,3-16H2,1-2H3