methyl 4-hexyl-5-[5-(4-hexyl-5-thiophen-2-yl-thiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylate

Systemtic Name: methyl 4-hexyl-5-[5-(4-hexyl-5-thiophen-2-yl-thiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylate Openeye Name: methyl 4-hexyl-5-[5-[4-hexyl-5-(2-thienyl)-2-thienyl]-2-thienyl]thiophene-2-carboxylate CAS Name: 4-hexyl-5-[5-(4-hexyl-5-thiophen-2-yl-2-thiophenyl)-2-thiophenyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-hexyl-5-[5-(4-hexyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylate Traditional Name: 4-hexyl-5-[5-[4-hexyl-5-(2-thienyl)-2-thienyl]-2-thienyl]thiophene-2-carboxylic acid methyl ester Formula: C30H36O2S4 MolecularWeight: 556.86564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(SC(=C1)C2=CC=C(S2)C3=C(C=C(S3)C(=O)OC)CCCCCC)C4=CC=CS4

Isomeric SMILES

CCCCCCC1=C(SC(=C1)C2=CC=C(S2)C3=C(C=C(S3)C(=O)OC)CCCCCC)C4=CC=CS4

InChI

InChI=1S/C30H36O2S4/c1-4-6-8-10-13-21-19-26(35-28(21)24-15-12-18-33-24)23-16-17-25(34-23)29-22(14-11-9-7-5-2)20-27(36-29)30(31)32-3/h12,15-20H,4-11,13-14H2,1-3H3