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

Systemtic Name: (4-heptylphenyl) 6-chloranyl-2-heptyl-thieno[3,2-b]thiophene-5-carboxylate Openeye Name: (4-heptylphenyl) 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-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 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-heptylphenyl) ester Formula: C27H35ClO2S2 MolecularWeight: 491.1486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C3=C(S2)C=C(S3)CCCCCCC)Cl

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C3=C(S2)C=C(S3)CCCCCCC)Cl

InChI

InChI=1S/C27H35ClO2S2/c1-3-5-7-9-11-13-20-15-17-21(18-16-20)30-27(29)26-24(28)25-23(32-26)19-22(31-25)14-12-10-8-6-4-2/h15-19H,3-14H2,1-2H3