(4-pentylphenyl) 6-chloranyl-2-heptyl-thieno[3,2-b]thiophene-5-carboxylate

Systemtic Name: (4-pentylphenyl) 6-chloranyl-2-heptyl-thieno[3,2-b]thiophene-5-carboxylate Openeye Name: (4-pentylphenyl) 6-chloro-2-heptyl-thieno[3,2-b]thiophene-5-carboxylate CAS Name: 6-chloro-2-heptyl-5-thieno[3,2-b]thiophenecarboxylic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 6-chloro-2-heptylthieno[3,2-b]thiophene-5-carboxylate Traditional Name: 6-chloro-2-heptyl-thieno[3,2-b]thiophene-5-carboxylic acid (4-amylphenyl) ester Formula: C25H31ClO2S2 MolecularWeight: 463.09544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=C(S1)C(=C(S2)C(=O)OC3=CC=C(C=C3)CCCCC)Cl

Isomeric SMILES

CCCCCCCC1=CC2=C(S1)C(=C(S2)C(=O)OC3=CC=C(C=C3)CCCCC)Cl

InChI

InChI=1S/C25H31ClO2S2/c1-3-5-7-8-10-12-20-17-21-23(29-20)22(26)24(30-21)25(27)28-19-15-13-18(14-16-19)11-9-6-4-2/h13-17H,3-12H2,1-2H3