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

Systemtic Name: (4-nonylphenyl) 6-chloranyl-2-heptyl-thieno[3,2-b]thiophene-5-carboxylate Openeye Name: (4-nonylphenyl) 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-nonylphenyl) ester IUPAC Name: (4-nonylphenyl) 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-nonylphenyl) ester Formula: C29H39ClO2S2 MolecularWeight: 519.20176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C3=C(S2)C=C(S3)CCCCCCC)Cl

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C3=C(S2)C=C(S3)CCCCCCC)Cl

InChI

InChI=1S/C29H39ClO2S2/c1-3-5-7-9-10-12-13-15-22-17-19-23(20-18-22)32-29(31)28-26(30)27-25(34-28)21-24(33-27)16-14-11-8-6-4-2/h17-21H,3-16H2,1-2H3