dimethyl 2,5-bis(4,5-dihexylthiophen-2-yl)benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2,5-bis(4,5-dihexylthiophen-2-yl)benzene-1,4-dicarboxylate Openeye Name: dimethyl 2,5-bis(4,5-dihexyl-2-thienyl)benzene-1,4-dicarboxylate CAS Name: 2,5-bis(4,5-dihexyl-2-thiophenyl)benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2,5-bis(4,5-dihexylthiophen-2-yl)benzene-1,4-dicarboxylate Traditional Name: 2,5-bis(4,5-dihexyl-2-thienyl)benzene-1,4-dicarboxylic acid dimethyl ester Formula: C42H62O4S2 MolecularWeight: 695.06928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(SC(=C1)C2=CC(=C(C=C2C(=O)OC)C3=CC(=C(S3)CCCCCC)CCCCCC)C(=O)OC)CCCCCC

Isomeric SMILES

CCCCCCC1=C(SC(=C1)C2=CC(=C(C=C2C(=O)OC)C3=CC(=C(S3)CCCCCC)CCCCCC)C(=O)OC)CCCCCC

InChI

InChI=1S/C42H62O4S2/c1-7-11-15-19-23-31-27-39(47-37(31)25-21-17-13-9-3)33-29-36(42(44)46-6)34(30-35(33)41(43)45-5)40-28-32(24-20-16-12-8-2)38(48-40)26-22-18-14-10-4/h27-30H,7-26H2,1-6H3