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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC3=C(S2)C=C(S3)CCCCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC3=C(S2)C=C(S3)CCCCCCC

InChI

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