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

Systemtic Name: (4-ethylphenyl) 6-chloranyl-2-heptyl-thieno[3,2-b]thiophene-5-carboxylate Openeye Name: (4-ethylphenyl) 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-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 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-ethylphenyl) ester Formula: C22H25ClO2S2 MolecularWeight: 421.0157

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClO2S2/c1-3-5-6-7-8-9-17-14-18-20(26-17)19(23)21(27-18)22(24)25-16-12-10-15(4-2)11-13-16/h10-14H,3-9H2,1-2H3