1,4-bis[5-[5-(5-icosylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]butane-1,4-dione

Systemtic Name: 1,4-bis[5-[5-(5-icosylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]butane-1,4-dione Openeye Name: 1,4-bis[5-[5-(5-icosyl-2-thienyl)-2-thienyl]-2-thienyl]butane-1,4-dione CAS Name: 1,4-bis[5-[5-(5-eicosyl-2-thiophenyl)-2-thiophenyl]-2-thiophenyl]butane-1,4-dione IUPAC Name: 1,4-bis[5-[5-(5-icosylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]butane-1,4-dione Traditional Name: 1,4-bis[5-[5-(5-arachyl-2-thienyl)-2-thienyl]-2-thienyl]butane-1,4-dione Formula: C68H98O2S6 MolecularWeight: 1139.89452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC1=CC=C(S1)C2=CC=C(S2)C3=CC=C(S3)C(=O)CCC(=O)C4=CC=C(S4)C5=CC=C(S5)C6=CC=C(S6)CCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC1=CC=C(S1)C2=CC=C(S2)C3=CC=C(S3)C(=O)CCC(=O)C4=CC=C(S4)C5=CC=C(S5)C6=CC=C(S6)CCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C68H98O2S6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-55-41-45-61(71-55)63-51-53-67(75-63)65-49-47-59(73-65)57(69)43-44-58(70)60-48-50-66(74-60)68-54-52-64(76-68)62-46-42-56(72-62)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41-42,45-54H,3-40,43-44H2,1-2H3