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

Systemtic Name: 5-butyl-4-(2-heptylphenyl)thieno[2,3-b]thiophene-2-carboxylate Openeye Name: 5-butyl-4-(2-heptylphenyl)thieno[2,3-b]thiophene-2-carboxylate CAS Name: 5-butyl-4-(2-heptylphenyl)-2-thieno[2,3-b]thiophenecarboxylate IUPAC Name: 5-butyl-4-(2-heptylphenyl)thieno[2,3-b]thiophene-2-carboxylate Traditional Name: 5-butyl-4-(2-heptylphenyl)thieno[2,3-b]thiophene-2-carboxylate Formula: C24H29O2S2- MolecularWeight: 413.61586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=CC=C1C2=C(SC3=C2C=C(S3)C(=O)[O-])CCCC

Isomeric SMILES

CCCCCCCC1=CC=CC=C1C2=C(SC3=C2C=C(S3)C(=O)[O-])CCCC

InChI

InChI=1S/C24H30O2S2/c1-3-5-7-8-9-12-17-13-10-11-14-18(17)22-19-16-21(23(25)26)28-24(19)27-20(22)15-6-4-2/h10-11,13-14,16H,3-9,12,15H2,1-2H3,(H,25,26)/p-1